CID 118704920

N-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3h-benzimidazole-4-sulfonamide

Structural Information

Molecular Formula
C19H18F3N3O2S
SMILES
C1CCC(C1)NS(=O)(=O)C2=CC=CC3=C2N=C(N3)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C19H18F3N3O2S/c20-19(21,22)13-10-8-12(9-11-13)18-23-15-6-3-7-16(17(15)24-18)28(26,27)25-14-4-1-2-5-14/h3,6-11,14,25H,1-2,4-5H2,(H,23,24)
InChIKey
BCAADIRANQOVRJ-UHFFFAOYSA-N
Compound name
N-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.10718 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.11446 190.6
[M+Na]+ 432.09640 199.8
[M-H]- 408.09990 194.7
[M+NH4]+ 427.14100 202.9
[M+K]+ 448.07034 192.6
[M+H-H2O]+ 392.10444 181.3
[M+HCOO]- 454.10538 201.5
[M+CH3COO]- 468.12103 199.4
[M+Na-2H]- 430.08185 191.5
[M]+ 409.10663 188.1
[M]- 409.10773 188.1
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.