PubChemLite - 4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1-[3-(morpholin-4-yl)propyl]-2,5-dihydro-1h-pyrrol-2-one (C26H29FN2O6)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)F)O)C(=O)C(=O)N2CCCN4CCOCC4

InChI

InChI=1S/C26H29FN2O6/c1-33-19-7-4-17(5-8-19)23-22(24(30)18-6-9-21(34-2)20(27)16-18)25(31)26(32)29(23)11-3-10-28-12-14-35-15-13-28/h4-9,16,23,30H,3,10-15H2,1-2H3

InChIKey

SWKPLRZFYPEBPO-UHFFFAOYSA-N

Compound name

4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)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]+	485.20824	217.1
[M+Na]+	507.19018	221.2
[M-H]-	483.19368	224.5
[M+NH4]+	502.23478	220.7
[M+K]+	523.16412	217.0
[M+H-H2O]+	467.19822	205.0
[M+HCOO]-	529.19916	227.7
[M+CH3COO]-	543.21481	236.7
[M+Na-2H]-	505.17563	209.7
[M]+	484.20041	215.9
[M]-	484.20151	215.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.20824

217.1

[M+Na]+

507.19018

221.2

[M-H]-

483.19368

224.5

[M+NH4]+

502.23478

220.7

[M+K]+

523.16412

217.0

[M+H-H2O]+

467.19822

205.0

[M+HCOO]-

529.19916

227.7

[M+CH3COO]-

543.21481

236.7

[M+Na-2H]-

505.17563

209.7

[M]+

484.20041

215.9

[M]-

484.20151

215.9

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

4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1-[3-(morpholin-4-yl)propyl]-2,5-dihydro-1h-pyrrol-2-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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