CID 16429363

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

Structural Information

Molecular Formula
C25H26FN3O7
SMILES
COC1=C(C=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)[N+](=O)[O-])/O)F
InChI
InChI=1S/C25H26FN3O7/c1-35-20-8-5-17(15-19(20)26)23(30)21-22(16-3-6-18(7-4-16)29(33)34)28(25(32)24(21)31)10-2-9-27-11-13-36-14-12-27/h3-8,15,22,30H,2,9-14H2,1H3/b23-21-
InChIKey
KHBMNYGQKXSVOD-LNVKXUELSA-N
Compound name
(4Z)-4-[(3-fluoro-4-methoxyphenyl)-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

499.17548 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.18276 218.6
[M+Na]+ 522.16470 220.4
[M-H]- 498.16820 226.1
[M+NH4]+ 517.20930 220.3
[M+K]+ 538.13864 212.3
[M+H-H2O]+ 482.17274 210.8
[M+HCOO]- 544.17368 230.1
[M+CH3COO]- 558.18933 232.9
[M+Na-2H]- 520.15015 214.9
[M]+ 499.17493 213.9
[M]- 499.17603 213.9
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.