CID 5909835

614748-18-4

Structural Information

Molecular Formula
C27H24N2O4
SMILES
CC1=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/C27H24N2O4/c1-3-15-33-22-12-10-21(11-13-22)25(30)23-24(20-8-6-18(2)7-9-20)29(27(32)26(23)31)17-19-5-4-14-28-16-19/h3-14,16,24,30H,1,15,17H2,2H3/b25-23+
InChIKey
UJTLHHGZQRSTDU-WJTDDFOZSA-N
Compound name
(4E)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-5-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.1736 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.18088 209.6
[M+Na]+ 463.16282 223.9
[M+NH4]+ 458.20742 214.4
[M+K]+ 479.13676 217.7
[M-H]- 439.16632 214.8
[M+Na-2H]- 461.14827 217.0
[M]+ 440.17305 212.9
[M]- 440.17415 212.9
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.