CID 514979

N-[3-(4-benzylpiperidin-1-yl)propyl]-1-methyl-n-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C28H37N3O2
SMILES
CC1=CC=CC=C1N(CCCN2CCC(CC2)CC3=CC=CC=C3)C(=O)C4CC(=O)N(C4)C
InChI
InChI=1S/C28H37N3O2/c1-22-9-6-7-12-26(22)31(28(33)25-20-27(32)29(2)21-25)16-8-15-30-17-13-24(14-18-30)19-23-10-4-3-5-11-23/h3-7,9-12,24-25H,8,13-21H2,1-2H3
InChIKey
STLJQZNBGWHMMS-UHFFFAOYSA-N
Compound name
N-[3-(4-benzylpiperidin-1-yl)propyl]-1-methyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

447.28857 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.29585 214.0
[M+Na]+ 470.27779 214.4
[M-H]- 446.28129 223.1
[M+NH4]+ 465.32239 221.0
[M+K]+ 486.25173 208.9
[M+H-H2O]+ 430.28583 201.2
[M+HCOO]- 492.28677 228.1
[M+CH3COO]- 506.30242 237.9
[M+Na-2H]- 468.26324 207.4
[M]+ 447.28802 209.8
[M]- 447.28912 209.8
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.