CID 462919

N-[4-(aminosulfonyl)phenyl]-2-mercaptobenzamide

Structural Information

Molecular Formula
C13H12N2O3S2
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)S
InChI
InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)
InChIKey
MRLVIVXGUGNENL-UHFFFAOYSA-N
Compound name
N-(4-sulfamoylphenyl)-2-sulfanylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

24
Patents

308.02893 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.03621 166.4
[M+Na]+ 331.01815 173.9
[M-H]- 307.02165 172.3
[M+NH4]+ 326.06275 180.6
[M+K]+ 346.99209 167.6
[M+H-H2O]+ 291.02619 158.9
[M+HCOO]- 353.02713 179.9
[M+CH3COO]- 367.04278 203.3
[M+Na-2H]- 329.00360 169.2
[M]+ 308.02838 167.2
[M]- 308.02948 167.2
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

patents stripe