CID 46886301

Chembl1092702

Structural Information

Molecular Formula
C23H24F3N3O
SMILES
CCC(=O)NC1=CC=C(C=C1)C2=NC3=C(N2C4CCCCC4)C=CC(=C3)C(F)(F)F
InChI
InChI=1S/C23H24F3N3O/c1-2-21(30)27-17-11-8-15(9-12-17)22-28-19-14-16(23(24,25)26)10-13-20(19)29(22)18-6-4-3-5-7-18/h8-14,18H,2-7H2,1H3,(H,27,30)
InChIKey
KREPWTBRNHNPET-UHFFFAOYSA-N
Compound name
N-[4-[1-cyclohexyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

415.18713 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.19441 199.7
[M+Na]+ 438.17635 206.1
[M-H]- 414.17985 203.4
[M+NH4]+ 433.22095 209.4
[M+K]+ 454.15029 198.5
[M+H-H2O]+ 398.18439 186.6
[M+HCOO]- 460.18533 212.7
[M+CH3COO]- 474.20098 207.0
[M+Na-2H]- 436.16180 199.0
[M]+ 415.18658 194.1
[M]- 415.18768 194.1
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.