CID 514973

N-[3-(4-benzylidenepiperidin-1-yl)propyl]-1-methyl-5-oxo-n-phenylpyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C27H33N3O2
SMILES
CN1CC(CC1=O)C(=O)N(CCCN2CCC(=CC3=CC=CC=C3)CC2)C4=CC=CC=C4
InChI
InChI=1S/C27H33N3O2/c1-28-21-24(20-26(28)31)27(32)30(25-11-6-3-7-12-25)16-8-15-29-17-13-23(14-18-29)19-22-9-4-2-5-10-22/h2-7,9-12,19,24H,8,13-18,20-21H2,1H3
InChIKey
HZTVRYBORIKDKA-UHFFFAOYSA-N
Compound name
N-[3-(4-benzylidenepiperidin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

431.25726 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.26454 208.8
[M+Na]+ 454.24648 209.1
[M-H]- 430.24998 217.8
[M+NH4]+ 449.29108 216.1
[M+K]+ 470.22042 203.2
[M+H-H2O]+ 414.25452 196.0
[M+HCOO]- 476.25546 223.5
[M+CH3COO]- 490.27111 232.4
[M+Na-2H]- 452.23193 203.4
[M]+ 431.25671 203.1
[M]- 431.25781 203.1
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.