PubChemLite - 1-[2-(diethylamino)ethyl]-4-(3-fluoro-4-methylbenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1,5-dihydro-2h-pyrrol-2-one (C25H29FN2O4)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCN1C(/C(=C(\C2=CC(=C(C=C2)C)F)/O)/C(=O)C1=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H29FN2O4/c1-5-27(6-2)13-14-28-22(17-9-11-19(32-4)12-10-17)21(24(30)25(28)31)23(29)18-8-7-16(3)20(26)15-18/h7-12,15,22,29H,5-6,13-14H2,1-4H3/b23-21-

InChIKey

OSQGNSLPRSKUQW-LNVKXUELSA-N

Compound name

(4Z)-1-[2-(diethylamino)ethyl]-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)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]+	441.21840	207.2
[M+Na]+	463.20034	213.2
[M-H]-	439.20384	214.5
[M+NH4]+	458.24494	216.8
[M+K]+	479.17428	208.3
[M+H-H2O]+	423.20838	196.9
[M+HCOO]-	485.20932	224.9
[M+CH3COO]-	499.22497	237.2
[M+Na-2H]-	461.18579	200.3
[M]+	440.21057	209.2
[M]-	440.21167	209.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.21840

207.2

[M+Na]+

463.20034

213.2

[M-H]-

439.20384

214.5

[M+NH4]+

458.24494

216.8

[M+K]+

479.17428

208.3

[M+H-H2O]+

423.20838

196.9

[M+HCOO]-

485.20932

224.9

[M+CH3COO]-

499.22497

237.2

[M+Na-2H]-

461.18579

200.3

[M]+

440.21057

209.2

[M]-

440.21167

209.2

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

1-[2-(diethylamino)ethyl]-4-(3-fluoro-4-methylbenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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