CID 16429491

4-[4-(allyloxy)benzoyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C25H27NO7
SMILES
COCCCN1C(/C(=C(\C2=CC=C(C=C2)OCC=C)/O)/C(=O)C1=O)C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C25H27NO7/c1-4-13-33-18-9-6-16(7-10-18)23(28)21-22(17-8-11-19(27)20(15-17)32-3)26(12-5-14-31-2)25(30)24(21)29/h4,6-11,15,22,27-28H,1,5,12-14H2,2-3H3/b23-21-
InChIKey
VYAMCUWPNQYAIC-LNVKXUELSA-N
Compound name
(4Z)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.17874 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.18602 210.3
[M+Na]+ 476.16796 220.5
[M+NH4]+ 471.21256 212.9
[M+K]+ 492.14190 217.2
[M-H]- 452.17146 211.4
[M+Na-2H]- 474.15341 212.4
[M]+ 453.17819 211.5
[M]- 453.17929 211.5
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.