CID 514977

N-[3-(4-benzyloxy-1-piperidyl)propyl]-1-methyl-5-oxo-n-phenyl-pyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C27H35N3O3
SMILES
CN1CC(CC1=O)C(=O)N(CCCN2CCC(CC2)OCC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H35N3O3/c1-28-20-23(19-26(28)31)27(32)30(24-11-6-3-7-12-24)16-8-15-29-17-13-25(14-18-29)33-21-22-9-4-2-5-10-22/h2-7,9-12,23,25H,8,13-21H2,1H3
InChIKey
PPMMAUPTVUQFDX-UHFFFAOYSA-N
Compound name
1-methyl-5-oxo-N-phenyl-N-[3-(4-phenylmethoxypiperidin-1-yl)propyl]pyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

449.26785 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.27513 211.6
[M+Na]+ 472.25707 211.3
[M-H]- 448.26057 220.5
[M+NH4]+ 467.30167 218.1
[M+K]+ 488.23101 206.8
[M+H-H2O]+ 432.26511 198.6
[M+HCOO]- 494.26605 226.3
[M+CH3COO]- 508.28170 235.8
[M+Na-2H]- 470.24252 206.5
[M]+ 449.26730 208.0
[M]- 449.26840 208.0
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.