CID 46886127

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

Structural Information

Molecular Formula
C17H14F3N3O
SMILES
CCC(=O)NC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F
InChI
InChI=1S/C17H14F3N3O/c1-2-15(24)21-12-6-3-10(4-7-12)16-22-13-8-5-11(17(18,19)20)9-14(13)23-16/h3-9H,2H2,1H3,(H,21,24)(H,22,23)
InChIKey
PLXOQCUHQQMVDJ-UHFFFAOYSA-N
Compound name
N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

333.1089 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.11618 174.4
[M+Na]+ 356.09812 184.1
[M-H]- 332.10162 175.1
[M+NH4]+ 351.14272 187.5
[M+K]+ 372.07206 177.0
[M+H-H2O]+ 316.10616 163.5
[M+HCOO]- 378.10710 191.2
[M+CH3COO]- 392.12275 208.7
[M+Na-2H]- 354.08357 178.1
[M]+ 333.10835 171.5
[M]- 333.10945 171.5
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