4-[4-(allyloxy)-3-methylbenzoyl]-3-hydroxy-5-(4-methylphenyl)-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2h-pyrrol-2-one (C28H32N2O5)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	477.238376	219.1
[M+Na]+	499.220318	222.8
[M-H]-	475.223824	227.6
[M+NH4]+	494.264923	223.1
[M+K]+	515.194258	217.3
[M+H-H2O]+	459.228360	207.9
[M+HCOO]-	521.229301	230.1
[M+CH3COO]-	535.244951	237.1
[M+Na-2H]-	497.205766	211.1
[M]+	476.23055142	217.4
[M]-	476.23164858	217.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

477.238376

219.1

[M+Na]+

499.220318

222.8

[M-H]-

475.223824

227.6

[M+NH4]+

494.264923

223.1

[M+K]+

515.194258

217.3

[M+H-H2O]+

459.228360

207.9

[M+HCOO]-

521.229301

230.1

[M+CH3COO]-

535.244951

237.1

[M+Na-2H]-

497.205766

211.1

[M]+

476.23055142

217.4

[M]-

476.23164858

217.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe