CID 514975

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

Structural Information

Molecular Formula
C28H37N3O2
SMILES
CN1CC(CC1=O)C(=O)N(CCCN2CCC(CC2)CCC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H37N3O2/c1-29-22-25(21-27(29)32)28(33)31(26-11-6-3-7-12-26)18-8-17-30-19-15-24(16-20-30)14-13-23-9-4-2-5-10-23/h2-7,9-12,24-25H,8,13-22H2,1H3
InChIKey
MFGVOEPJLDRNKD-UHFFFAOYSA-N
Compound name
1-methyl-5-oxo-N-phenyl-N-[3-[4-(2-phenylethyl)piperidin-1-yl]propyl]pyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

447.28857 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.29585 213.5
[M+Na]+ 470.27779 212.9
[M-H]- 446.28129 222.1
[M+NH4]+ 465.32239 220.1
[M+K]+ 486.25173 207.4
[M+H-H2O]+ 430.28583 200.4
[M+HCOO]- 492.28677 227.6
[M+CH3COO]- 506.30242 236.6
[M+Na-2H]- 468.26324 207.6
[M]+ 447.28802 208.8
[M]- 447.28912 208.8
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.