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]+ 328.11144 169.4
[M+Na]+ 350.09338 176.2
[M-H]- 326.09688 176.0
[M+NH4]+ 345.13798 176.4
[M+K]+ 366.06732 173.2
[M+H-H2O]+ 310.10142 155.3
[M+HCOO]- 372.10236 184.1
[M+CH3COO]- 386.11801 179.3
[M+Na-2H]- 348.07883 173.7
[M]+ 327.10361 178.6
[M]- 327.10471 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.