CID 393936

Nsc696908

Structural Information

Molecular Formula
C20H16ClN3O2S2
SMILES
CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CC=CC=C3N2C4=CC=CC=C4
InChI
InChI=1S/C20H16ClN3O2S2/c1-13-11-19(18(27)12-15(13)21)28(25,26)23-20-22-16-9-5-6-10-17(16)24(20)14-7-3-2-4-8-14/h2-12,27H,1H3,(H,22,23)
InChIKey
GXMBRHBPQJMPEM-UHFFFAOYSA-N
Compound name
4-chloro-5-methyl-N-(1-phenylbenzimidazol-2-yl)-2-sulfanylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.03726 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.04454 198.7
[M+Na]+ 452.02648 211.8
[M-H]- 428.02998 208.2
[M+NH4]+ 447.07108 210.8
[M+K]+ 468.00042 202.8
[M+H-H2O]+ 412.03452 191.6
[M+HCOO]- 474.03546 207.3
[M+CH3COO]- 488.05111 209.2
[M+Na-2H]- 450.01193 201.1
[M]+ 429.03671 206.9
[M]- 429.03781 206.9
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.