CID 508783

1-benzoyl-n-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methyl]pyrrolidine-2-carboxamide

Structural Information

Molecular Formula
C25H30ClN3O2
SMILES
C1CC(N(C1)C(=O)C2=CC=CC=C2)C(=O)NCC3CCN(CC3)CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H30ClN3O2/c26-22-10-8-20(9-11-22)18-28-15-12-19(13-16-28)17-27-24(30)23-7-4-14-29(23)25(31)21-5-2-1-3-6-21/h1-3,5-6,8-11,19,23H,4,7,12-18H2,(H,27,30)
InChIKey
GIOZFMHNIVIVFM-UHFFFAOYSA-N
Compound name
1-benzoyl-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.20267 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.20995 208.4
[M+Na]+ 462.19189 209.7
[M-H]- 438.19539 216.2
[M+NH4]+ 457.23649 215.8
[M+K]+ 478.16583 202.6
[M+H-H2O]+ 422.19993 196.5
[M+HCOO]- 484.20087 217.6
[M+CH3COO]- 498.21652 214.2
[M+Na-2H]- 460.17734 203.2
[M]+ 439.20212 203.5
[M]- 439.20322 203.5
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.