CID 5775859

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

Structural Information

Molecular Formula
C27H24N2O5
SMILES
COC1=CC=C(C=C1)C2/C(=C(\C3=CC=C(C=C3)OCC=C)/O)/C(=O)C(=O)N2CC4=CN=CC=C4
InChI
InChI=1S/C27H24N2O5/c1-3-15-34-22-12-8-20(9-13-22)25(30)23-24(19-6-10-21(33-2)11-7-19)29(27(32)26(23)31)17-18-5-4-14-28-16-18/h3-14,16,24,30H,1,15,17H2,2H3/b25-23-
InChIKey
KHXILZHYWFIGOM-BZZOAKBMSA-N
Compound name
(4Z)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.16852 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.17580 212.4
[M+Na]+ 479.15774 226.1
[M+NH4]+ 474.20234 216.6
[M+K]+ 495.13168 220.5
[M-H]- 455.16124 217.1
[M+Na-2H]- 477.14319 219.4
[M]+ 456.16797 215.4
[M]- 456.16907 215.4
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.