CID 508766

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

Structural Information

Molecular Formula
C22H24Cl3N3O2
SMILES
C1CN(CCC1CNC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)Cl)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H24Cl3N3O2/c23-18-4-1-16(2-5-18)14-28-9-7-15(8-10-28)12-26-21(29)13-27-22(30)17-3-6-19(24)20(25)11-17/h1-6,11,15H,7-10,12-14H2,(H,26,29)(H,27,30)
InChIKey
SNNQOYQFYYAARK-UHFFFAOYSA-N
Compound name
3,4-dichloro-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

467.0934 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.10068 207.2
[M+Na]+ 490.08262 211.6
[M-H]- 466.08612 212.2
[M+NH4]+ 485.12722 214.8
[M+K]+ 506.05656 204.0
[M+H-H2O]+ 450.09066 198.5
[M+HCOO]- 512.09160 210.6
[M+CH3COO]- 526.10725 234.5
[M+Na-2H]- 488.06807 204.4
[M]+ 467.09285 207.7
[M]- 467.09395 207.7
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.