CID 126810481

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

Structural Information

Molecular Formula
C17H16FN3O2S
SMILES
C1CC(C1)C2=NC3=C(N2)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F
InChI
InChI=1S/C17H16FN3O2S/c18-13-6-1-2-7-16(13)24(22,23)21-12-8-9-14-15(10-12)20-17(19-14)11-4-3-5-11/h1-2,6-11,21H,3-5H2,(H,19,20)
InChIKey
RNCGESUAFOAOBJ-UHFFFAOYSA-N
Compound name
N-(2-cyclobutyl-3H-benzimidazol-5-yl)-2-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.09473 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.102006 173.4
[M+Na]+ 368.083948 181.0
[M-H]- 344.087454 179.0
[M+NH4]+ 363.128553 179.8
[M+K]+ 384.057888 177.5
[M+H-H2O]+ 328.091990 158.5
[M+HCOO]- 390.092931 186.9
[M+CH3COO]- 404.108581 182.9
[M+Na-2H]- 366.069396 176.3
[M]+ 345.09418142 182.1
[M]- 345.09527858 182.1
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.