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
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 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.