CID 514967

1-methyl-5-oxo-n-phenyl-n-[3-(4-phenylpiperidin-1-yl)propyl]pyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C26H33N3O2
SMILES
CN1CC(CC1=O)C(=O)N(CCCN2CCC(CC2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H33N3O2/c1-27-20-23(19-25(27)30)26(31)29(24-11-6-3-7-12-24)16-8-15-28-17-13-22(14-18-28)21-9-4-2-5-10-21/h2-7,9-12,22-23H,8,13-20H2,1H3
InChIKey
LGPUILWJFYSLAM-UHFFFAOYSA-N
Compound name
1-methyl-5-oxo-N-phenyl-N-[3-(4-phenylpiperidin-1-yl)propyl]pyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.25726 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.26454 204.9
[M+Na]+ 442.24648 205.4
[M-H]- 418.24998 214.1
[M+NH4]+ 437.29108 212.8
[M+K]+ 458.22042 200.3
[M+H-H2O]+ 402.25452 192.3
[M+HCOO]- 464.25546 219.8
[M+CH3COO]- 478.27111 230.8
[M+Na-2H]- 440.23193 200.1
[M]+ 419.25671 199.7
[M]- 419.25781 199.7
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.