CID 387426

Nsc681175

Structural Information

Molecular Formula
C15H14ClN3O2S2
SMILES
CC1=CC2=C(C=C1)N=C(N2)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)S
InChI
InChI=1S/C15H14ClN3O2S2/c1-8-3-4-11-12(5-8)18-15(17-11)19-23(20,21)14-6-9(2)10(16)7-13(14)22/h3-7,22H,1-2H3,(H2,17,18,19)
InChIKey
HJRQHTSVOGWXFU-UHFFFAOYSA-N
Compound name
4-chloro-5-methyl-N-(6-methyl-1H-benzimidazol-2-yl)-2-sulfanylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

367.0216 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.02888 180.9
[M+Na]+ 390.01082 194.0
[M-H]- 366.01432 186.2
[M+NH4]+ 385.05542 195.2
[M+K]+ 405.98476 185.4
[M+H-H2O]+ 350.01886 175.6
[M+HCOO]- 412.01980 188.0
[M+CH3COO]- 426.03545 191.9
[M+Na-2H]- 387.99627 182.8
[M]+ 367.02105 188.0
[M]- 367.02215 188.0
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.