CID 16429434

5-[4-(benzyloxy)phenyl]-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-1-(3-pyridinylmethyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C31H25FN2O5
SMILES
COC1=C(C=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5)/O)F
InChI
InChI=1S/C31H25FN2O5/c1-38-26-14-11-23(16-25(26)32)29(35)27-28(34(31(37)30(27)36)18-21-8-5-15-33-17-21)22-9-12-24(13-10-22)39-19-20-6-3-2-4-7-20/h2-17,28,35H,18-19H2,1H3/b29-27-
InChIKey
VNFNKNSDRGJADI-OHYPFYFLSA-N
Compound name
(4Z)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(4-phenylmethoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.17474 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.18202 227.8
[M+Na]+ 547.16396 233.4
[M-H]- 523.16746 238.3
[M+NH4]+ 542.20856 230.4
[M+K]+ 563.13790 226.0
[M+H-H2O]+ 507.17200 213.5
[M+HCOO]- 569.17294 242.4
[M+CH3COO]- 583.18859 233.8
[M+Na-2H]- 545.14941 222.0
[M]+ 524.17419 227.2
[M]- 524.17529 227.2
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.