CID 16429367

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

Structural Information

Molecular Formula
C25H27FN2O6
SMILES
COC1=C(C=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC(=CC=C4)O)/O)F
InChI
InChI=1S/C25H27FN2O6/c1-33-20-7-6-17(15-19(20)26)23(30)21-22(16-4-2-5-18(29)14-16)28(25(32)24(21)31)9-3-8-27-10-12-34-13-11-27/h2,4-7,14-15,22,29-30H,3,8-13H2,1H3/b23-21-
InChIKey
JBIJEAUEBYLNSE-LNVKXUELSA-N
Compound name
(4Z)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.1853 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.19258 212.9
[M+Na]+ 493.17452 217.0
[M-H]- 469.17802 219.3
[M+NH4]+ 488.21912 216.5
[M+K]+ 509.14846 212.3
[M+H-H2O]+ 453.18256 201.4
[M+HCOO]- 515.18350 222.4
[M+CH3COO]- 529.19915 231.9
[M+Na-2H]- 491.15997 205.7
[M]+ 470.18475 209.7
[M]- 470.18585 209.7
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.