CID 16429124

4-[4-(allyloxy)-3-methylbenzoyl]-3-hydroxy-5-(4-methylphenyl)-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C28H32N2O5
SMILES
CC1=CC=C(C=C1)C2/C(=C(\C3=CC(=C(C=C3)OCC=C)C)/O)/C(=O)C(=O)N2CCN4CCOCC4
InChI
InChI=1S/C28H32N2O5/c1-4-15-35-23-10-9-22(18-20(23)3)26(31)24-25(21-7-5-19(2)6-8-21)30(28(33)27(24)32)12-11-29-13-16-34-17-14-29/h4-10,18,25,31H,1,11-17H2,2-3H3/b26-24-
InChIKey
JVDDHLQEVCYLFE-LCUIJRPUSA-N
Compound name
(4Z)-4-[hydroxy-(3-methyl-4-prop-2-enoxyphenyl)methylidene]-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.2311 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.23838 219.1
[M+Na]+ 499.22032 222.8
[M-H]- 475.22382 227.6
[M+NH4]+ 494.26492 223.1
[M+K]+ 515.19426 217.3
[M+H-H2O]+ 459.22836 207.9
[M+HCOO]- 521.22930 230.1
[M+CH3COO]- 535.24495 237.1
[M+Na-2H]- 497.20577 211.1
[M]+ 476.23055 217.4
[M]- 476.23165 217.4
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.