CID 16429342

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

Structural Information

Molecular Formula
C32H28N2O6
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)OC
InChI
InChI=1S/C32H28N2O6/c1-38-26-15-12-24(17-27(26)39-2)30(35)28-29(34(32(37)31(28)36)19-22-9-6-16-33-18-22)23-10-13-25(14-11-23)40-20-21-7-4-3-5-8-21/h3-18,29,35H,19-20H2,1-2H3/b30-28-
InChIKey
VUFNQTHTQPNKEN-HYOGKJQXSA-N
Compound name
(4Z)-4-[(3,4-dimethoxyphenyl)-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

536.19476 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.20204 230.7
[M+Na]+ 559.18398 235.2
[M-H]- 535.18748 242.4
[M+NH4]+ 554.22858 232.6
[M+K]+ 575.15792 229.2
[M+H-H2O]+ 519.19202 217.0
[M+HCOO]- 581.19296 246.1
[M+CH3COO]- 595.20861 246.0
[M+Na-2H]- 557.16943 225.3
[M]+ 536.19421 232.6
[M]- 536.19531 232.6
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.