CID 3725161

5-(4-ethylphenyl)-3-hydroxy-4-[4-(prop-2-en-1-yloxy)benzoyl]-1-[(pyridin-4-yl)methyl]-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C28H26N2O4
SMILES
CCC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC=C)O)C(=O)C(=O)N2CC4=CC=NC=C4
InChI
InChI=1S/C28H26N2O4/c1-3-17-34-23-11-9-22(10-12-23)26(31)24-25(21-7-5-19(4-2)6-8-21)30(28(33)27(24)32)18-20-13-15-29-16-14-20/h3,5-16,25,31H,1,4,17-18H2,2H3
InChIKey
FBNBTPRQDOOSIQ-UHFFFAOYSA-N
Compound name
5-(4-ethylphenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.18927 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.19655 212.7
[M+Na]+ 477.17849 218.4
[M-H]- 453.18199 221.3
[M+NH4]+ 472.22309 218.9
[M+K]+ 493.15243 210.7
[M+H-H2O]+ 437.18653 201.0
[M+HCOO]- 499.18747 228.7
[M+CH3COO]- 513.20312 231.9
[M+Na-2H]- 475.16394 207.5
[M]+ 454.18872 212.6
[M]- 454.18982 212.6
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.