CID 46886387

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

Structural Information

Molecular Formula
C18H16F3N3O
SMILES
CCC(=O)NC1=CC=C(C=C1)C2=NC3=C(N2C)C=CC(=C3)C(F)(F)F
InChI
InChI=1S/C18H16F3N3O/c1-3-16(25)22-13-7-4-11(5-8-13)17-23-14-10-12(18(19,20)21)6-9-15(14)24(17)2/h4-10H,3H2,1-2H3,(H,22,25)
InChIKey
WTKISRHFDDQLBR-UHFFFAOYSA-N
Compound name
N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

347.12454 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.13182 179.8
[M+Na]+ 370.11376 190.4
[M-H]- 346.11726 182.1
[M+NH4]+ 365.15836 193.4
[M+K]+ 386.08770 184.0
[M+H-H2O]+ 330.12180 168.6
[M+HCOO]- 392.12274 197.7
[M+CH3COO]- 406.13839 215.3
[M+Na-2H]- 368.09921 182.5
[M]+ 347.12399 179.4
[M]- 347.12509 179.4
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