CID 16428960

4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-5-phenyl-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C25H27FN2O5
SMILES
COC1=C(C=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=CC=C4)/O)F
InChI
InChI=1S/C25H27FN2O5/c1-32-20-9-8-18(16-19(20)26)23(29)21-22(17-6-3-2-4-7-17)28(25(31)24(21)30)11-5-10-27-12-14-33-15-13-27/h2-4,6-9,16,22,29H,5,10-15H2,1H3/b23-21-
InChIKey
ZVDFKWADIVXXDI-LNVKXUELSA-N
Compound name
(4Z)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.1904 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.19768 210.2
[M+Na]+ 477.17962 214.2
[M-H]- 453.18312 217.5
[M+NH4]+ 472.22422 215.0
[M+K]+ 493.15356 209.3
[M+H-H2O]+ 437.18766 198.2
[M+HCOO]- 499.18860 221.1
[M+CH3COO]- 513.20425 230.2
[M+Na-2H]- 475.16507 203.8
[M]+ 454.18985 206.8
[M]- 454.19095 206.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.