CID 506864

1h-indole-2-carboxamide, 3-[(2-amino-5-chlorophenyl)sulfonyl]-

Structural Information

Molecular Formula
C15H12ClN3O3S
SMILES
C1=CC=C2C(=C1)C(=C(N2)C(=O)N)S(=O)(=O)C3=C(C=CC(=C3)Cl)N
InChI
InChI=1S/C15H12ClN3O3S/c16-8-5-6-10(17)12(7-8)23(21,22)14-9-3-1-2-4-11(9)19-13(14)15(18)20/h1-7,19H,17H2,(H2,18,20)
InChIKey
UNYDSXXRNKWCFU-UHFFFAOYSA-N
Compound name
3-(2-amino-5-chlorophenyl)sulfonyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

349.02878 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.03606 177.0
[M+Na]+ 372.01800 188.1
[M-H]- 348.02150 182.8
[M+NH4]+ 367.06260 191.7
[M+K]+ 387.99194 180.7
[M+H-H2O]+ 332.02604 171.4
[M+HCOO]- 394.02698 189.9
[M+CH3COO]- 408.04263 209.1
[M+Na-2H]- 370.00345 179.2
[M]+ 349.02823 180.2
[M]- 349.02933 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.