CID 514985

N-[3-(4-benzylpiperidin-1-yl)propyl]-n-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C27H34ClN3O2
SMILES
CN1CC(CC1=O)C(=O)N(CCCN2CCC(CC2)CC3=CC=CC=C3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C27H34ClN3O2/c1-29-20-23(18-26(29)32)27(33)31(25-10-5-9-24(28)19-25)14-6-13-30-15-11-22(12-16-30)17-21-7-3-2-4-8-21/h2-5,7-10,19,22-23H,6,11-18,20H2,1H3
InChIKey
XFDYMIYXVRMFEM-UHFFFAOYSA-N
Compound name
N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

467.23395 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.24123 217.7
[M+Na]+ 490.22317 219.4
[M-H]- 466.22667 226.7
[M+NH4]+ 485.26777 224.8
[M+K]+ 506.19711 212.6
[M+H-H2O]+ 450.23121 205.2
[M+HCOO]- 512.23215 227.6
[M+CH3COO]- 526.24780 238.3
[M+Na-2H]- 488.20862 211.0
[M]+ 467.23340 215.6
[M]- 467.23450 215.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.