CID 5808887

498537-61-4

Structural Information

Molecular Formula
C31H34N2O6
SMILES
CCOC1=C(C=CC(=C1)C2/C(=C(/C3=C(C=C(C=C3)OCC4=CC=CC=C4)C)\O)/C(=O)C(=O)N2CCN(C)C)O
InChI
InChI=1S/C31H34N2O6/c1-5-38-26-18-22(11-14-25(26)34)28-27(30(36)31(37)33(28)16-15-32(3)4)29(35)24-13-12-23(17-20(24)2)39-19-21-9-7-6-8-10-21/h6-14,17-18,28,34-35H,5,15-16,19H2,1-4H3/b29-27+
InChIKey
MEFDZUTUOWGCEJ-ORIPQNMZSA-N
Compound name
(4E)-1-[2-(dimethylamino)ethyl]-5-(3-ethoxy-4-hydroxyphenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.2417 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.24898 232.7
[M+Na]+ 553.23092 244.2
[M+NH4]+ 548.27552 236.0
[M+K]+ 569.20486 239.8
[M-H]- 529.23442 237.9
[M+Na-2H]- 551.21637 237.7
[M]+ 530.24115 235.5
[M]- 530.24225 235.5
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.