CID 508906

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

Structural Information

Molecular Formula
C24H30ClN3O2
SMILES
CC1=CC(=C(C=C1)CN2CCC(CC2)CNC(=O)CNC(=O)C3=CC(=CC=C3)Cl)C
InChI
InChI=1S/C24H30ClN3O2/c1-17-6-7-21(18(2)12-17)16-28-10-8-19(9-11-28)14-26-23(29)15-27-24(30)20-4-3-5-22(25)13-20/h3-7,12-13,19H,8-11,14-16H2,1-2H3,(H,26,29)(H,27,30)
InChIKey
UQVDZKROTJSEFM-UHFFFAOYSA-N
Compound name
3-chloro-N-[2-[[1-[(2,4-dimethylphenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.20267 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.20995 206.1
[M+Na]+ 450.19189 209.2
[M-H]- 426.19539 212.9
[M+NH4]+ 445.23649 214.4
[M+K]+ 466.16583 202.5
[M+H-H2O]+ 410.19993 195.8
[M+HCOO]- 472.20087 219.0
[M+CH3COO]- 486.21652 232.7
[M+Na-2H]- 448.17734 203.8
[M]+ 427.20212 205.0
[M]- 427.20322 205.0
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.