CID 514978

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

Structural Information

Molecular Formula
C27H34FN3O2
SMILES
CN1CC(CC1=O)C(=O)N(CCCN2CCC(CC2)CC3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C27H34FN3O2/c1-29-20-23(19-26(29)32)27(33)31(25-6-3-2-4-7-25)15-5-14-30-16-12-22(13-17-30)18-21-8-10-24(28)11-9-21/h2-4,6-11,22-23H,5,12-20H2,1H3
InChIKey
XDHDHFVBVDUSKK-UHFFFAOYSA-N
Compound name
N-[3-[4-[(4-fluorophenyl)methyl]piperidin-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

451.26352 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.27080 213.0
[M+Na]+ 474.25274 214.0
[M-H]- 450.25624 221.0
[M+NH4]+ 469.29734 219.8
[M+K]+ 490.22668 208.2
[M+H-H2O]+ 434.26078 199.4
[M+HCOO]- 496.26172 226.5
[M+CH3COO]- 510.27737 237.5
[M+Na-2H]- 472.23819 206.4
[M]+ 451.26297 207.6
[M]- 451.26407 207.6
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.