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 211.2
[M+Na]+ 477.19962 220.8
[M+NH4]+ 472.24422 214.4
[M+K]+ 493.17356 218.0
[M-H]- 453.20312 213.6
[M+Na-2H]- 475.18507 214.0
[M]+ 454.20985 212.8
[M]- 454.21095 212.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.