CID 5934281

496775-44-1

Structural Information

Molecular Formula
C32H34N2O7
SMILES
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCN4CCOCC4)C5=CC(=C(C=C5)O)OC)/O
InChI
InChI=1S/C32H34N2O7/c1-21-18-24(41-20-22-6-4-3-5-7-22)9-10-25(21)30(36)28-29(23-8-11-26(35)27(19-23)39-2)34(32(38)31(28)37)13-12-33-14-16-40-17-15-33/h3-11,18-19,29,35-36H,12-17,20H2,1-2H3/b30-28+
InChIKey
ZVNZWCQVARNZBR-SJCQXOIGSA-N
Compound name
(4E)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.2366 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.24388 238.0
[M+Na]+ 581.22582 250.2
[M+NH4]+ 576.27042 240.9
[M+K]+ 597.19976 246.1
[M-H]- 557.22932 245.1
[M+Na-2H]- 579.21127 242.7
[M]+ 558.23605 241.5
[M]- 558.23715 241.5
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.