CID 16728448

Chembl234401

Structural Information

Molecular Formula
C15H13ClN2O3S
SMILES
CC1=CC(=CC(=C1)S(=O)(=O)N2C3=C(C=CC(=C3)Cl)NC2=O)C
InChI
InChI=1S/C15H13ClN2O3S/c1-9-5-10(2)7-12(6-9)22(20,21)18-14-8-11(16)3-4-13(14)17-15(18)19/h3-8H,1-2H3,(H,17,19)
InChIKey
PZYJPOPJUOPKCU-UHFFFAOYSA-N
Compound name
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

336.03354 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.04082 174.6
[M+Na]+ 359.02276 188.8
[M-H]- 335.02626 180.5
[M+NH4]+ 354.06736 190.1
[M+K]+ 374.99670 181.4
[M+H-H2O]+ 319.03080 168.6
[M+HCOO]- 381.03174 186.3
[M+CH3COO]- 395.04739 202.9
[M+Na-2H]- 357.00821 177.0
[M]+ 336.03299 182.2
[M]- 336.03409 182.2
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.