CID 3000744

3-(2-mercapto-5-benzimidazolyl-sulfamyl)benzanilide

Structural Information

Molecular Formula
C20H16N4O3S2
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC4=C(C=C3)NC(=S)N4
InChI
InChI=1S/C20H16N4O3S2/c25-19(21-14-6-2-1-3-7-14)13-5-4-8-16(11-13)29(26,27)24-15-9-10-17-18(12-15)23-20(28)22-17/h1-12,24H,(H,21,25)(H2,22,23,28)
InChIKey
RNZJHERCJUAJIK-UHFFFAOYSA-N
Compound name
N-phenyl-3-[(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.06638 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.07366 193.8
[M+Na]+ 447.05560 202.7
[M-H]- 423.05910 199.7
[M+NH4]+ 442.10020 202.5
[M+K]+ 463.02954 193.1
[M+H-H2O]+ 407.06364 186.6
[M+HCOO]- 469.06458 204.6
[M+CH3COO]- 483.08023 202.0
[M+Na-2H]- 445.04105 198.8
[M]+ 424.06583 194.5
[M]- 424.06693 194.5
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

No patent data available for this compound.