CID 508745

Benzamide, n-[2-oxo-2-[[1-(phenylmethyl)-4-piperidinyl]amino]ethyl]-3-(trifluoromethoxy)-

Structural Information

Molecular Formula
C22H24F3N3O3
SMILES
C1CN(CCC1NC(=O)CNC(=O)C2=CC(=CC=C2)OC(F)(F)F)CC3=CC=CC=C3
InChI
InChI=1S/C22H24F3N3O3/c23-22(24,25)31-19-8-4-7-17(13-19)21(30)26-14-20(29)27-18-9-11-28(12-10-18)15-16-5-2-1-3-6-16/h1-8,13,18H,9-12,14-15H2,(H,26,30)(H,27,29)
InChIKey
KNTBGCZZTPIELX-UHFFFAOYSA-N
Compound name
N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.17697 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.18425 200.7
[M+Na]+ 458.16619 202.4
[M-H]- 434.16969 203.3
[M+NH4]+ 453.21079 206.9
[M+K]+ 474.14013 197.5
[M+H-H2O]+ 418.17423 187.2
[M+HCOO]- 480.17517 214.2
[M+CH3COO]- 494.19082 230.7
[M+Na-2H]- 456.15164 200.8
[M]+ 435.17642 193.1
[M]- 435.17752 193.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.