CID 16429425

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

Structural Information

Molecular Formula
C25H21FN2O5
SMILES
COC1=C(C=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3=CC=NC=C3)C4=CC(=CC=C4)OC)/O)F
InChI
InChI=1S/C25H21FN2O5/c1-32-18-5-3-4-16(12-18)22-21(23(29)17-6-7-20(33-2)19(26)13-17)24(30)25(31)28(22)14-15-8-10-27-11-9-15/h3-13,22,29H,14H2,1-2H3/b23-21-
InChIKey
VDFHTGPAKLJJLO-LNVKXUELSA-N
Compound name
(4Z)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.14346 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.15074 206.5
[M+Na]+ 471.13268 214.0
[M-H]- 447.13618 214.8
[M+NH4]+ 466.17728 213.2
[M+K]+ 487.10662 207.9
[M+H-H2O]+ 431.14072 194.4
[M+HCOO]- 493.14166 222.5
[M+CH3COO]- 507.15731 230.0
[M+Na-2H]- 469.11813 201.8
[M]+ 448.14291 207.1
[M]- 448.14401 207.1
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.