CID 16428907

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

Structural Information

Molecular Formula
C26H23FN2O4
SMILES
CCC1=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/C26H23FN2O4/c1-3-16-4-6-18(7-5-16)23-22(24(30)19-8-9-21(33-2)20(27)14-19)25(31)26(32)29(23)15-17-10-12-28-13-11-17/h4-14,23,30H,3,15H2,1-2H3/b24-22-
InChIKey
ZFRBACBSZWRPHD-GYHWCHFESA-N
Compound name
(4Z)-5-(4-ethylphenyl)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.16418 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.17146 212.6
[M+Na]+ 469.15340 226.1
[M+NH4]+ 464.19800 216.9
[M+K]+ 485.12734 220.4
[M-H]- 445.15690 216.4
[M+Na-2H]- 467.13885 218.9
[M]+ 446.16363 215.4
[M]- 446.16473 215.4
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.