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 230.0
[M+Na]+ 553.23092 233.8
[M-H]- 529.23442 240.2
[M+NH4]+ 548.27552 234.4
[M+K]+ 569.20486 229.4
[M+H-H2O]+ 513.23896 218.8
[M+HCOO]- 575.23990 246.4
[M+CH3COO]- 589.25555 251.9
[M+Na-2H]- 551.21637 222.4
[M]+ 530.24115 233.6
[M]- 530.24225 233.6
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.