CID 508755

3-chloro-n-[2-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methylamino]-2-oxo-ethyl]benzamide

Structural Information

Molecular Formula
C22H25Cl2N3O2
SMILES
C1CN(CCC1CNC(=O)CNC(=O)C2=CC(=CC=C2)Cl)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H25Cl2N3O2/c23-19-6-4-17(5-7-19)15-27-10-8-16(9-11-27)13-25-21(28)14-26-22(29)18-2-1-3-20(24)12-18/h1-7,12,16H,8-11,13-15H2,(H,25,28)(H,26,29)
InChIKey
LPPPIMAIPHWMJF-UHFFFAOYSA-N
Compound name
3-chloro-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.1324 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.13968 202.2
[M+Na]+ 456.12162 205.6
[M-H]- 432.12512 208.1
[M+NH4]+ 451.16622 210.6
[M+K]+ 472.09556 198.3
[M+H-H2O]+ 416.12966 192.7
[M+HCOO]- 478.13060 210.8
[M+CH3COO]- 492.14625 229.4
[M+Na-2H]- 454.10707 201.0
[M]+ 433.13185 201.6
[M]- 433.13295 201.6
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.