CID 16429418

4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(4-pyridinylmethyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C27H25FN2O4
SMILES
CC(C)C1=CC=C(C=C1)C2/C(=C(\C3=CC(=C(C=C3)OC)F)/O)/C(=O)C(=O)N2CC4=CC=NC=C4
InChI
InChI=1S/C27H25FN2O4/c1-16(2)18-4-6-19(7-5-18)24-23(25(31)20-8-9-22(34-3)21(28)14-20)26(32)27(33)30(24)15-17-10-12-29-13-11-17/h4-14,16,24,31H,15H2,1-3H3/b25-23-
InChIKey
FZHNLTTZFORXGB-BZZOAKBMSA-N
Compound name
(4Z)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(4-propan-2-ylphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.17984 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.18712 215.8
[M+Na]+ 483.16906 228.8
[M+NH4]+ 478.21366 219.8
[M+K]+ 499.14300 223.7
[M-H]- 459.17256 219.4
[M+Na-2H]- 481.15451 221.6
[M]+ 460.17929 218.4
[M]- 460.18039 218.4
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.