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]+ 346.10201 172.2
[M+Na]+ 368.08395 179.9
[M+NH4]+ 363.12855 175.0
[M+K]+ 384.05789 175.5
[M-H]- 344.08745 172.1
[M+Na-2H]- 366.06940 177.1
[M]+ 345.09418 172.4
[M]- 345.09528 172.4
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.