CID 6245780

500274-51-1

Structural Information

Molecular Formula
C32H28N2O6
SMILES
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC(=C(C=C5)O)OC)/O
InChI
InChI=1S/C32H28N2O6/c1-20-15-24(40-19-21-7-4-3-5-8-21)11-12-25(20)30(36)28-29(23-10-13-26(35)27(16-23)39-2)34(32(38)31(28)37)18-22-9-6-14-33-17-22/h3-17,29,35-36H,18-19H2,1-2H3/b30-28+
InChIKey
YQBWFNHNFBWZKX-SJCQXOIGSA-N
Compound name
(4E)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-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 230.9
[M+Na]+ 559.18398 235.8
[M-H]- 535.18748 241.7
[M+NH4]+ 554.22858 232.4
[M+K]+ 575.15792 229.3
[M+H-H2O]+ 519.19202 217.8
[M+HCOO]- 581.19296 244.8
[M+CH3COO]- 595.20861 245.5
[M+Na-2H]- 557.16943 224.5
[M]+ 536.19421 231.6
[M]- 536.19531 231.6
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.