CID 3010976

N-(2-amino-3h-benzimidazol-5-yl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide

Structural Information

Molecular Formula
C14H10ClF3N4O2S
SMILES
C1=CC(=C(C=C1C(F)(F)F)S(=O)(=O)NC2=CC3=C(C=C2)N=C(N3)N)Cl
InChI
InChI=1S/C14H10ClF3N4O2S/c15-9-3-1-7(14(16,17)18)5-12(9)25(23,24)22-8-2-4-10-11(6-8)21-13(19)20-10/h1-6,22H,(H3,19,20,21)
InChIKey
AICUHZZYFYYAQD-UHFFFAOYSA-N
Compound name
N-(2-amino-3H-benzimidazol-5-yl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.0165 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.02378 181.0
[M+Na]+ 413.00572 193.3
[M-H]- 389.00922 182.1
[M+NH4]+ 408.05032 193.1
[M+K]+ 428.97966 184.8
[M+H-H2O]+ 373.01376 172.2
[M+HCOO]- 435.01470 189.5
[M+CH3COO]- 449.03035 214.7
[M+Na-2H]- 410.99117 185.1
[M]+ 390.01595 181.4
[M]- 390.01705 181.4
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.