CID 508791

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

Structural Information

Molecular Formula
C23H27Cl2N3O3
SMILES
C1CN(CCC1CNC(=O)C(CO)NC(=O)C2=CC(=CC=C2)Cl)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H27Cl2N3O3/c24-19-6-4-17(5-7-19)14-28-10-8-16(9-11-28)13-26-23(31)21(15-29)27-22(30)18-2-1-3-20(25)12-18/h1-7,12,16,21,29H,8-11,13-15H2,(H,26,31)(H,27,30)
InChIKey
DOUCCXLZTTVSPE-UHFFFAOYSA-N
Compound name
3-chloro-N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-3-hydroxy-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.14294 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.15022 206.9
[M+Na]+ 486.13216 209.0
[M-H]- 462.13566 211.6
[M+NH4]+ 481.17676 213.2
[M+K]+ 502.10610 202.2
[M+H-H2O]+ 446.14020 197.8
[M+HCOO]- 508.14114 213.1
[M+CH3COO]- 522.15679 233.1
[M+Na-2H]- 484.11761 204.1
[M]+ 463.14239 205.9
[M]- 463.14349 205.9
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.