CID 508805

Benzyl n-[2-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methylamino]-2-oxo-ethyl]carbamate

Structural Information

Molecular Formula
C23H28ClN3O3
SMILES
C1CN(CCC1CNC(=O)CNC(=O)OCC2=CC=CC=C2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H28ClN3O3/c24-21-8-6-19(7-9-21)16-27-12-10-18(11-13-27)14-25-22(28)15-26-23(29)30-17-20-4-2-1-3-5-20/h1-9,18H,10-17H2,(H,25,28)(H,26,29)
InChIKey
NENMSTHQRFKWEY-UHFFFAOYSA-N
Compound name
benzyl N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.18192 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.18920 202.9
[M+Na]+ 452.17114 204.4
[M-H]- 428.17464 209.1
[M+NH4]+ 447.21574 210.4
[M+K]+ 468.14508 198.5
[M+H-H2O]+ 412.17918 192.1
[M+HCOO]- 474.18012 216.4
[M+CH3COO]- 488.19577 228.8
[M+Na-2H]- 450.15659 202.8
[M]+ 429.18137 201.9
[M]- 429.18247 201.9
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.