CID 16429392

4-{4-[(4-fluorobenzyl)oxy]benzoyl}-3-hydroxy-1-[3-(4-morpholinyl)propyl]-5-(4-nitrophenyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C31H30FN3O7
SMILES
C1COCCN1CCCN2C(/C(=C(\C3=CC=C(C=C3)OCC4=CC=C(C=C4)F)/O)/C(=O)C2=O)C5=CC=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C31H30FN3O7/c32-24-8-2-21(3-9-24)20-42-26-12-6-23(7-13-26)29(36)27-28(22-4-10-25(11-5-22)35(39)40)34(31(38)30(27)37)15-1-14-33-16-18-41-19-17-33/h2-13,28,36H,1,14-20H2/b29-27-
InChIKey
MQMPLKFTONXRPW-OHYPFYFLSA-N
Compound name
(4Z)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

575.2068 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 576.21408 238.3
[M+Na]+ 598.19602 237.8
[M-H]- 574.19952 248.0
[M+NH4]+ 593.24062 235.8
[M+K]+ 614.16996 228.8
[M+H-H2O]+ 558.20406 228.2
[M+HCOO]- 620.20500 248.5
[M+CH3COO]- 634.22065 246.6
[M+Na-2H]- 596.18147 233.6
[M]+ 575.20625 232.5
[M]- 575.20735 232.5
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.