CID 5933190

489440-58-6

Structural Information

Molecular Formula
C32H34N2O5
SMILES
CC1=CC=C(C=C1)C2/C(=C(/C3=C(C=C(C=C3)OCC4=CC=CC=C4)C)\O)/C(=O)C(=O)N2CCN5CCOCC5
InChI
InChI=1S/C32H34N2O5/c1-22-8-10-25(11-9-22)29-28(31(36)32(37)34(29)15-14-33-16-18-38-19-17-33)30(35)27-13-12-26(20-23(27)2)39-21-24-6-4-3-5-7-24/h3-13,20,29,35H,14-19,21H2,1-2H3/b30-28+
InChIKey
RIUCRDRBXJNAFP-SJCQXOIGSA-N
Compound name
(4E)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.24677 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.25405 231.6
[M+Na]+ 549.23599 234.2
[M-H]- 525.23949 242.8
[M+NH4]+ 544.28059 232.8
[M+K]+ 565.20993 228.5
[M+H-H2O]+ 509.24403 218.5
[M+HCOO]- 571.24497 242.0
[M+CH3COO]- 585.26062 236.5
[M+Na-2H]- 547.22144 223.4
[M]+ 526.24622 228.9
[M]- 526.24732 228.9
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.