CID 514984

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

Structural Information

Molecular Formula
C28H37N3O3
SMILES
CN1CC(CC1=O)C(=O)N(CCCN2CCC(CC2)CC3=CC=CC=C3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C28H37N3O3/c1-29-21-24(20-27(29)32)28(33)31(25-9-11-26(34-2)12-10-25)16-6-15-30-17-13-23(14-18-30)19-22-7-4-3-5-8-22/h3-5,7-12,23-24H,6,13-21H2,1-2H3
InChIKey
JUZHSAXITHYKNM-UHFFFAOYSA-N
Compound name
N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

463.28348 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.29076 216.4
[M+Na]+ 486.27270 216.6
[M-H]- 462.27620 225.5
[M+NH4]+ 481.31730 222.6
[M+K]+ 502.24664 211.9
[M+H-H2O]+ 446.28074 203.5
[M+HCOO]- 508.28168 230.7
[M+CH3COO]- 522.29733 239.9
[M+Na-2H]- 484.25815 210.1
[M]+ 463.28293 213.6
[M]- 463.28403 213.6
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.