CID 124609064

N-(2-cyclobutyl-1h-1,3-benzodiazol-5-yl)benzenesulfonamide

Structural Information

Molecular Formula
C17H17N3O2S
SMILES
C1CC(C1)C2=NC3=C(N2)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C17H17N3O2S/c21-23(22,14-7-2-1-3-8-14)20-13-9-10-15-16(11-13)19-17(18-15)12-5-4-6-12/h1-3,7-12,20H,4-6H2,(H,18,19)
InChIKey
JZOKLZGVRONABT-UHFFFAOYSA-N
Compound name
N-(2-cyclobutyl-3H-benzimidazol-5-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.10416 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.111436 169.4
[M+Na]+ 350.093378 176.2
[M-H]- 326.096884 176.0
[M+NH4]+ 345.137983 176.4
[M+K]+ 366.067318 173.2
[M+H-H2O]+ 310.101420 155.3
[M+HCOO]- 372.102361 184.1
[M+CH3COO]- 386.118011 179.3
[M+Na-2H]- 348.078826 173.7
[M]+ 327.10361142 178.6
[M]- 327.10470858 178.6
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.