CID 16429435

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

Structural Information

Molecular Formula
C25H21FN2O5
SMILES
COC1=CC=C(C=C1)C2/C(=C(\C3=CC(=C(C=C3)OC)F)/O)/C(=O)C(=O)N2CC4=CN=CC=C4
InChI
InChI=1S/C25H21FN2O5/c1-32-18-8-5-16(6-9-18)22-21(23(29)17-7-10-20(33-2)19(26)12-17)24(30)25(31)28(22)14-15-4-3-11-27-13-15/h3-13,22,29H,14H2,1-2H3/b23-21-
InChIKey
FCRSOUTUXBUYQN-LNVKXUELSA-N
Compound name
(4Z)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-(pyridin-3-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 211.0
[M+Na]+ 471.13268 224.3
[M+NH4]+ 466.17728 214.9
[M+K]+ 487.10662 219.3
[M-H]- 447.13618 214.4
[M+Na-2H]- 469.11813 217.2
[M]+ 448.14291 213.6
[M]- 448.14401 213.6
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.