CID 46886300

Chembl1092701

Structural Information

Molecular Formula
C22H22F3N3O
SMILES
CC(=O)NC1=CC=C(C=C1)C2=NC3=C(N2C4CCCCC4)C=CC(=C3)C(F)(F)F
InChI
InChI=1S/C22H22F3N3O/c1-14(29)26-17-10-7-15(8-11-17)21-27-19-13-16(22(23,24)25)9-12-20(19)28(21)18-5-3-2-4-6-18/h7-13,18H,2-6H2,1H3,(H,26,29)
InChIKey
GXJIGAVSRDGBGV-UHFFFAOYSA-N
Compound name
N-[4-[1-cyclohexyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.1715 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.17878 195.2
[M+Na]+ 424.16072 202.1
[M-H]- 400.16422 199.1
[M+NH4]+ 419.20532 205.5
[M+K]+ 440.13466 194.7
[M+H-H2O]+ 384.16876 182.3
[M+HCOO]- 446.16970 208.5
[M+CH3COO]- 460.18535 202.9
[M+Na-2H]- 422.14617 195.0
[M]+ 401.17095 189.3
[M]- 401.17205 189.3
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.