CID 46886207

Chembl1090903

Structural Information

Molecular Formula
C22H23F3N4O
SMILES
CN1C2=C(C=C(C=C2)C(F)(F)F)N=C1C3=CC=C(C=C3)NC(=O)CN4CCCCC4
InChI
InChI=1S/C22H23F3N4O/c1-28-19-10-7-16(22(23,24)25)13-18(19)27-21(28)15-5-8-17(9-6-15)26-20(30)14-29-11-3-2-4-12-29/h5-10,13H,2-4,11-12,14H2,1H3,(H,26,30)
InChIKey
GACIXDWECKYUFW-UHFFFAOYSA-N
Compound name
N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

416.1824 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.18968 199.6
[M+Na]+ 439.17162 206.4
[M-H]- 415.17512 202.2
[M+NH4]+ 434.21622 207.9
[M+K]+ 455.14556 198.8
[M+H-H2O]+ 399.17966 185.8
[M+HCOO]- 461.18060 211.6
[M+CH3COO]- 475.19625 206.6
[M+Na-2H]- 437.15707 199.5
[M]+ 416.18185 194.3
[M]- 416.18295 194.3
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.