CID 5780751

488840-67-1

Structural Information

Molecular Formula
C31H26N2O5
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)/O
InChI
InChI=1S/C31H26N2O5/c1-20-16-25(38-19-21-6-3-2-4-7-21)13-14-26(20)29(35)27-28(23-9-11-24(34)12-10-23)33(31(37)30(27)36)18-22-8-5-15-32-17-22/h2-17,28,34-35H,18-19H2,1H3/b29-27+
InChIKey
WQTXMWUKACKIRG-ORIPQNMZSA-N
Compound name
(4E)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-(4-hydroxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.18417 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.19145 227.0
[M+Na]+ 529.17339 242.4
[M+NH4]+ 524.21799 231.5
[M+K]+ 545.14733 236.0
[M-H]- 505.17689 234.2
[M+Na-2H]- 527.15884 235.9
[M]+ 506.18362 231.1
[M]- 506.18472 231.1
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.