CID 508806

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

Structural Information

Molecular Formula
C23H27Cl2N3O3
SMILES
CC(C(=O)NCC1CCN(CC1)CC2=CC=C(C=C2)Cl)OC(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C23H27Cl2N3O3/c1-16(31-23(30)27-21-4-2-3-20(25)13-21)22(29)26-14-17-9-11-28(12-10-17)15-18-5-7-19(24)8-6-18/h2-8,13,16-17H,9-12,14-15H2,1H3,(H,26,29)(H,27,30)
InChIKey
PMOAAOOVBWXTSE-UHFFFAOYSA-N
Compound name
[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl] N-(3-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.14294 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.15022 208.0
[M+Na]+ 486.13216 210.6
[M-H]- 462.13566 214.0
[M+NH4]+ 481.17676 215.1
[M+K]+ 502.10610 204.5
[M+H-H2O]+ 446.14020 198.5
[M+HCOO]- 508.14114 215.7
[M+CH3COO]- 522.15679 234.6
[M+Na-2H]- 484.11761 205.5
[M]+ 463.14239 208.6
[M]- 463.14349 208.6
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.