PubChemLite - 4-[4-(benzyloxy)-2-methylbenzoyl]-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-1,5-dihydro-2h-pyrrol-2-one (C32H35NO7)

Structural Information

Molecular Formula

SMILES

CCOC1=C(C=C(C=C1)C2/C(=C(\C3=C(C=C(C=C3)OCC4=CC=CC=C4)C)/O)/C(=O)C(=O)N2CCCOC)OC

InChI

InChI=1S/C32H35NO7/c1-5-39-26-15-12-23(19-27(26)38-4)29-28(31(35)32(36)33(29)16-9-17-37-3)30(34)25-14-13-24(18-21(25)2)40-20-22-10-7-6-8-11-22/h6-8,10-15,18-19,29,34H,5,9,16-17,20H2,1-4H3/b30-28-

InChIKey

FMPNKBXCSZWBOU-HYOGKJQXSA-N

Compound name

(4Z)-5-(4-ethoxy-3-methoxyphenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(3-methoxypropyl)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]+	546.24861	233.8
[M+Na]+	568.23055	238.1
[M-H]-	544.23405	243.7
[M+NH4]+	563.27515	237.8
[M+K]+	584.20449	233.5
[M+H-H2O]+	528.23859	222.1
[M+HCOO]-	590.23953	249.9
[M+CH3COO]-	604.25518	250.5
[M+Na-2H]-	566.21600	226.0
[M]+	545.24078	240.2
[M]-	545.24188	240.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

546.24861

233.8

[M+Na]+

568.23055

238.1

[M-H]-

544.23405

243.7

[M+NH4]+

563.27515

237.8

[M+K]+

584.20449

233.5

[M+H-H2O]+

528.23859

222.1

[M+HCOO]-

590.23953

249.9

[M+CH3COO]-

604.25518

250.5

[M+Na-2H]-

566.21600

226.0

[M]+

545.24078

240.2

[M]-

545.24188

240.2

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

4-[4-(benzyloxy)-2-methylbenzoyl]-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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