CID 508786

1-(3-chlorobenzoyl)-n-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methyl]pyrrolidine-2-carboxamide

Structural Information

Molecular Formula
C25H29Cl2N3O2
SMILES
C1CC(N(C1)C(=O)C2=CC(=CC=C2)Cl)C(=O)NCC3CCN(CC3)CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H29Cl2N3O2/c26-21-8-6-19(7-9-21)17-29-13-10-18(11-14-29)16-28-24(31)23-5-2-12-30(23)25(32)20-3-1-4-22(27)15-20/h1,3-4,6-9,15,18,23H,2,5,10-14,16-17H2,(H,28,31)
InChIKey
WFEGFXWBFXQNTC-UHFFFAOYSA-N
Compound name
1-(3-chlorobenzoyl)-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

473.1637 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.17098 215.1
[M+Na]+ 496.15292 217.8
[M-H]- 472.15642 222.4
[M+NH4]+ 491.19752 222.0
[M+K]+ 512.12686 209.8
[M+H-H2O]+ 456.16096 203.6
[M+HCOO]- 518.16190 219.2
[M+CH3COO]- 532.17755 220.4
[M+Na-2H]- 494.13837 208.5
[M]+ 473.16315 212.2
[M]- 473.16425 212.2
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.