CID 46886153

Chembl1093493

Structural Information

Molecular Formula
C21H21F3N4O
SMILES
C1CCN(CC1)CC(=O)NC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(F)(F)F
InChI
InChI=1S/C21H21F3N4O/c22-21(23,24)15-6-9-17-18(12-15)27-20(26-17)14-4-7-16(8-5-14)25-19(29)13-28-10-2-1-3-11-28/h4-9,12H,1-3,10-11,13H2,(H,25,29)(H,26,27)
InChIKey
XTWWVLHWQOLFBP-UHFFFAOYSA-N
Compound name
2-piperidin-1-yl-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.16675 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.17403 193.3
[M+Na]+ 425.15597 199.3
[M-H]- 401.15947 194.4
[M+NH4]+ 420.20057 201.2
[M+K]+ 441.12991 191.1
[M+H-H2O]+ 385.16401 179.9
[M+HCOO]- 447.16495 204.2
[M+CH3COO]- 461.18060 199.8
[M+Na-2H]- 423.14142 194.3
[M]+ 402.16620 185.5
[M]- 402.16730 185.5
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

No patent data available for this compound.