CID 46886126

N-[4-[5-(trifluoromethyl)-1h-benzimidazol-2-yl]phenyl]acetamide

Structural Information

Molecular Formula
C16H12F3N3O
SMILES
CC(=O)NC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F
InChI
InChI=1S/C16H12F3N3O/c1-9(23)20-12-5-2-10(3-6-12)15-21-13-7-4-11(16(17,18)19)8-14(13)22-15/h2-8H,1H3,(H,20,23)(H,21,22)
InChIKey
YIGQBIOGPRASGG-UHFFFAOYSA-N
Compound name
N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

319.09326 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.10054 169.8
[M+Na]+ 342.08248 179.9
[M-H]- 318.08598 170.7
[M+NH4]+ 337.12708 183.5
[M+K]+ 358.05642 173.1
[M+H-H2O]+ 302.09052 159.1
[M+HCOO]- 364.09146 186.9
[M+CH3COO]- 378.10711 205.7
[M+Na-2H]- 340.06793 174.0
[M]+ 319.09271 166.6
[M]- 319.09381 166.6
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

patents stripe