CID 508931

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

Structural Information

Molecular Formula
C23H26Cl3N3O3
SMILES
C1CN(CCC1CNC(=O)[C@H](CO)NC(=O)C2=CC(=C(C=C2)Cl)Cl)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H26Cl3N3O3/c24-18-4-1-16(2-5-18)13-29-9-7-15(8-10-29)12-27-23(32)21(14-30)28-22(31)17-3-6-19(25)20(26)11-17/h1-6,11,15,21,30H,7-10,12-14H2,(H,27,32)(H,28,31)/t21-/m0/s1
InChIKey
DTFZIGDXAJFOBO-NRFANRHFSA-N
Compound name
3,4-dichloro-N-[(2S)-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

497.10397 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.11125 210.8
[M+Na]+ 520.09319 213.9
[M-H]- 496.09669 214.6
[M+NH4]+ 515.13779 216.5
[M+K]+ 536.06713 206.8
[M+H-H2O]+ 480.10123 202.8
[M+HCOO]- 542.10217 212.0
[M+CH3COO]- 556.11782 238.1
[M+Na-2H]- 518.07864 206.6
[M]+ 497.10342 211.0
[M]- 497.10452 211.0
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.