CID 508802

N-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methyl]-2-(p-tolylcarbamoylamino)acetamide

Structural Information

Molecular Formula
C23H29ClN4O2
SMILES
CC1=CC=C(C=C1)NC(=O)NCC(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H29ClN4O2/c1-17-2-8-21(9-3-17)27-23(30)26-15-22(29)25-14-18-10-12-28(13-11-18)16-19-4-6-20(24)7-5-19/h2-9,18H,10-16H2,1H3,(H,25,29)(H2,26,27,30)
InChIKey
BVNGJBSPOFHEIC-UHFFFAOYSA-N
Compound name
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-[(4-methylphenyl)carbamoylamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.1979 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.20518 204.3
[M+Na]+ 451.18712 206.0
[M-H]- 427.19062 210.8
[M+NH4]+ 446.23172 212.0
[M+K]+ 467.16106 199.7
[M+H-H2O]+ 411.19516 193.8
[M+HCOO]- 473.19610 218.7
[M+CH3COO]- 487.21175 233.2
[M+Na-2H]- 449.17257 204.0
[M]+ 428.19735 201.8
[M]- 428.19845 201.8
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.