CID 514965

N-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-1-methyl-5-oxo-n-phenyl-pyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C26H30FN3O3
SMILES
CN1CC(CC1=O)C(=O)N(CCN2CCC(CC2)C(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C26H30FN3O3/c1-28-18-21(17-24(28)31)26(33)30(23-5-3-2-4-6-23)16-15-29-13-11-20(12-14-29)25(32)19-7-9-22(27)10-8-19/h2-10,20-21H,11-18H2,1H3
InChIKey
YDZKNAAIDAEBSC-UHFFFAOYSA-N
Compound name
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

451.2271 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.23438 209.8
[M+Na]+ 474.21632 211.0
[M-H]- 450.21982 218.1
[M+NH4]+ 469.26092 216.3
[M+K]+ 490.19026 206.2
[M+H-H2O]+ 434.22436 196.7
[M+HCOO]- 496.22530 223.0
[M+CH3COO]- 510.24095 237.0
[M+Na-2H]- 472.20177 202.9
[M]+ 451.22655 204.2
[M]- 451.22765 204.2
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.