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 235.8
[M+Na]+ 581.22582 238.0
[M-H]- 557.22932 246.1
[M+NH4]+ 576.27042 235.0
[M+K]+ 597.19976 233.7
[M+H-H2O]+ 541.23386 223.0
[M+HCOO]- 603.23480 245.0
[M+CH3COO]- 617.25045 249.6
[M+Na-2H]- 579.21127 227.4
[M]+ 558.23605 234.7
[M]- 558.23715 234.7
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.