CID 16429357

1-[2-(diethylamino)ethyl]-4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C25H30N2O6
SMILES
CCN(CC)CCN1C(/C(=C(\C2=CC(=C(C=C2)OC)OC)/O)/C(=O)C1=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C25H30N2O6/c1-5-26(6-2)13-14-27-22(16-7-10-18(28)11-8-16)21(24(30)25(27)31)23(29)17-9-12-19(32-3)20(15-17)33-4/h7-12,15,22,28-29H,5-6,13-14H2,1-4H3/b23-21-
InChIKey
WEVOBQQNZRGPKO-LNVKXUELSA-N
Compound name
(4Z)-1-[2-(diethylamino)ethyl]-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.2104 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.21768 208.9
[M+Na]+ 477.19962 213.8
[M-H]- 453.20312 216.3
[M+NH4]+ 472.24422 217.0
[M+K]+ 493.17356 210.3
[M+H-H2O]+ 437.20766 199.5
[M+HCOO]- 499.20860 226.4
[M+CH3COO]- 513.22425 236.9
[M+Na-2H]- 475.18507 202.8
[M]+ 454.20985 213.0
[M]- 454.21095 213.0
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.