PubChemLite - 4-[4-(allyloxy)benzoyl]-3-hydroxy-5-(4-isopropylphenyl)-1-(2-methoxyethyl)-1,5-dihydro-2h-pyrrol-2-one (C26H29NO5)

Structural Information

Molecular Formula

SMILES

CC(C)C1=CC=C(C=C1)C2/C(=C(\C3=CC=C(C=C3)OCC=C)/O)/C(=O)C(=O)N2CCOC

InChI

InChI=1S/C26H29NO5/c1-5-15-32-21-12-10-20(11-13-21)24(28)22-23(19-8-6-18(7-9-19)17(2)3)27(14-16-31-4)26(30)25(22)29/h5-13,17,23,28H,1,14-16H2,2-4H3/b24-22-

InChIKey

MNCZQSUJGQQEGP-GYHWCHFESA-N

Compound name

(4Z)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(2-methoxyethyl)-5-(4-propan-2-ylphenyl)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]+	436.21184	206.1
[M+Na]+	458.19378	211.2
[M-H]-	434.19728	212.9
[M+NH4]+	453.23838	215.1
[M+K]+	474.16772	205.9
[M+H-H2O]+	418.20182	196.9
[M+HCOO]-	480.20276	222.3
[M+CH3COO]-	494.21841	230.2
[M+Na-2H]-	456.17923	199.2
[M]+	435.20401	208.6
[M]-	435.20511	208.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

436.21184

206.1

[M+Na]+

458.19378

211.2

[M-H]-

434.19728

212.9

[M+NH4]+

453.23838

215.1

[M+K]+

474.16772

205.9

[M+H-H2O]+

418.20182

196.9

[M+HCOO]-

480.20276

222.3

[M+CH3COO]-

494.21841

230.2

[M+Na-2H]-

456.17923

199.2

[M]+

435.20401

208.6

[M]-

435.20511

208.6

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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