CID 1381796

3-(2-aminoethyl)-5-(aminosulfonyl)-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C11H13N3O4S
SMILES
C1=CC2=C(C=C1S(=O)(=O)N)C(=C(N2)C(=O)O)CCN
InChI
InChI=1S/C11H13N3O4S/c12-4-3-7-8-5-6(19(13,17)18)1-2-9(8)14-10(7)11(15)16/h1-2,5,14H,3-4,12H2,(H,15,16)(H2,13,17,18)
InChIKey
DTDWTGOKQXXRST-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-5-sulfamoyl-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

283.06268 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.06996 159.9
[M+Na]+ 306.05190 169.0
[M-H]- 282.05540 160.5
[M+NH4]+ 301.09650 175.5
[M+K]+ 322.02584 163.9
[M+H-H2O]+ 266.05994 154.3
[M+HCOO]- 328.06088 175.6
[M+CH3COO]- 342.07653 196.2
[M+Na-2H]- 304.03735 162.4
[M]+ 283.06213 160.8
[M]- 283.06323 160.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe