
 5-Carboxamidotryptamine maleate

 40 40  0  0  0  0  0  0  0  0999 V2000
    1.8426    0.7275   -1.7464 C   0  0  0  0  0
    0.5943    1.3535   -1.6623 C   0  0  0  0  0
   -0.4890    0.5839   -1.2207 C   0  0  0  0  0
   -0.3771   -0.7681   -0.8926 C   0  0  0  0  0
    0.8879   -1.3809   -0.9976 C   0  0  0  0  0
    1.9953   -0.6179   -1.3984 C   0  0  0  0  0
    3.3220   -1.2841   -1.4375 C   0  0  0  0  0
    3.4320   -2.4880   -1.6291 O   0  0  0  0  0
    4.4162   -0.5026   -1.1894 N   0  0  0  0  0
   -1.6761   -1.2267   -0.4986 C   0  0  0  0  0
   -2.5260   -0.1421   -0.5958 C   0  0  0  0  0
   -1.8027    0.9387   -1.0208 N   0  0  0  0  0
   -2.0595   -2.6143   -0.0884 C   0  0  0  0  0
   -2.1172   -2.8425    1.4306 C   0  0  0  0  0
   -0.8180   -2.7447    2.1140 N   0  0  0  0  0
    2.1092    1.3883    1.7771 C   0  0  0  0  0
    0.8521    1.7345    2.0934 C   0  0  0  0  0
   -0.1373    0.7289    2.5067 C   0  0  0  0  0
   -1.3256    0.9581    2.6443 O   0  0  0  0  0
    0.4159   -0.4809    2.6656 O   0  0  0  0  0
    3.0746    2.3102    1.1846 C   0  0  0  0  0
    4.0924    1.9539    0.6136 O   0  0  0  0  0
    2.7339    3.6014    1.2946 O   0  0  0  0  0
    2.6951    1.3053   -2.0955 H   0  0  0  0  0
    0.4769    2.3996   -1.9263 H   0  0  0  0  0
    1.0120   -2.4313   -0.7506 H   0  0  0  0  0
    4.3413    0.4032   -0.7319 H   0  0  0  0  0
    5.2983   -0.9873   -1.0894 H   0  0  0  0  0
   -3.5840   -0.0461   -0.3905 H   0  0  0  0  0
   -2.1771    1.8661   -1.1650 H   0  0  0  0  0
   -1.3763   -3.3403   -0.5465 H   0  0  0  0  0
   -3.0517   -2.8355   -0.5041 H   0  0  0  0  0
   -2.5118   -3.8505    1.6037 H   0  0  0  0  0
   -2.8090   -2.1356    1.9007 H   0  0  0  0  0
   -0.1039   -3.1803    1.5215 H   0  0  0  0  0
   -0.8531   -3.3305    2.9531 H   0  0  0  0  0
    2.4590    0.3650    1.8557 H   0  0  0  0  0
    0.4688    2.7391    1.9692 H   0  0  0  0  0
   -0.3138   -1.1555    2.6228 H   0  0  0  0  0
    3.4691    4.0863    0.8659 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  5  6  2  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 27  1  0  0  0
  9 28  1  0  0  0
 10 11  2  0  0  0
 10 13  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 12 30  1  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 13 32  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 16 21  1  0  0  0
 16 17  2  0  0  0
 16 37  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 39  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 40  1  0  0  0
M  END

>  <Chemical Name>
5-Carboxamidotryptamine maleate

>  <PubChem CID>
11709509

>  <Formula>
C15H17N3O5

>  <Molecular Weight>
319.317000

>  <IUPAC Name>
3-(2-aminoethyl)-1H-indole-5-carboxamide;(Z)-but-2-enedioic acid

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN.C(=CC(=O)O)C(=O)O

>  <Isomeric SMILES>
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN.C(=C\C(=O)O)\C(=O)O

>  <InChI Std. ID>
InChI=1S/C11H13N3O.C4H4O4/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10;5-3(6)1-2-4(7)8/h1-2,5-6,14H,3-4,12H2,(H2,13,15);1-2H,(H,5,6)(H,7,8)/b;2-1-

>  <InChI Key>
PZQZSWAOVAMBQM-BTJKTKAUSA-N

