CID 391368

N-(1-methyl-1h-benzimidazol-2-yl)-benzenesulfonamide

Structural Information

Molecular Formula
C14H13N3O2S
SMILES
CN1C2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C14H13N3O2S/c1-17-13-10-6-5-9-12(13)15-14(17)16-20(18,19)11-7-3-2-4-8-11/h2-10H,1H3,(H,15,16)
InChIKey
ZAWUKQCLEWGNRF-UHFFFAOYSA-N
Compound name
N-(1-methylbenzimidazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

287.07285 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08013 163.4
[M+Na]+ 310.06207 174.8
[M-H]- 286.06557 169.8
[M+NH4]+ 305.10667 179.8
[M+K]+ 326.03601 169.3
[M+H-H2O]+ 270.07011 155.9
[M+HCOO]- 332.07105 182.5
[M+CH3COO]- 346.08670 176.1
[M+Na-2H]- 308.04752 170.0
[M]+ 287.07230 168.0
[M]- 287.07340 168.0
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.