CID 46886389

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

Structural Information

Molecular Formula
C17H14F3N3O
SMILES
CC(=O)NC1=CC=C(C=C1)C2=NC3=C(N2C)C=CC(=C3)C(F)(F)F
InChI
InChI=1S/C17H14F3N3O/c1-10(24)21-13-6-3-11(4-7-13)16-22-14-9-12(17(18,19)20)5-8-15(14)23(16)2/h3-9H,1-2H3,(H,21,24)
InChIKey
IQXIRVNLFHLIHC-UHFFFAOYSA-N
Compound name
N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

333.1089 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.11618 175.1
[M+Na]+ 356.09812 186.2
[M-H]- 332.10162 177.6
[M+NH4]+ 351.14272 189.3
[M+K]+ 372.07206 180.0
[M+H-H2O]+ 316.10616 164.2
[M+HCOO]- 378.10710 193.4
[M+CH3COO]- 392.12275 212.3
[M+Na-2H]- 354.08357 178.4
[M]+ 333.10835 174.4
[M]- 333.10945 174.4
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

patents stripe