CID 514970

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

Structural Information

Molecular Formula
C27H35N3O2
SMILES
CN1CC(CC1=O)C(=O)N(CCCN2CCC(CC2)CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H35N3O2/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/h2-7,9-12,23-24H,8,13-21H2,1H3
InChIKey
WXZSXOCGVZWUQT-UHFFFAOYSA-N
Compound name
N-[3-(4-benzylpiperidin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

433.27292 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.28020 209.2
[M+Na]+ 456.26214 209.2
[M-H]- 432.26564 218.1
[M+NH4]+ 451.30674 216.5
[M+K]+ 472.23608 203.8
[M+H-H2O]+ 416.27018 196.4
[M+HCOO]- 478.27112 223.7
[M+CH3COO]- 492.28677 233.7
[M+Na-2H]- 454.24759 203.9
[M]+ 433.27237 204.3
[M]- 433.27347 204.3
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.