PubChemLite - 1-[2-(diethylamino)ethyl]-5-(4-ethoxyphenyl)-3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-1,5-dihydro-2h-pyrrol-2-one (C27H34N2O5)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C27H34N2O5/c1-6-28(7-2)15-16-29-24(19-9-12-21(13-10-19)34-8-3)23(26(31)27(29)32)25(30)20-11-14-22(33-5)18(4)17-20/h9-14,17,24,30H,6-8,15-16H2,1-5H3/b25-23+

InChIKey

DYLYWEGLIVPILV-WJTDDFOZSA-N

Compound name

(4E)-1-[2-(diethylamino)ethyl]-5-(4-ethoxyphenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]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]+	467.25405	215.2
[M+Na]+	489.23599	219.9
[M-H]-	465.23949	223.5
[M+NH4]+	484.28059	223.7
[M+K]+	505.20993	216.0
[M+H-H2O]+	449.24403	205.4
[M+HCOO]-	511.24497	233.4
[M+CH3COO]-	525.26062	242.6
[M+Na-2H]-	487.22144	208.2
[M]+	466.24622	220.3
[M]-	466.24732	220.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

467.25405

215.2

[M+Na]+

489.23599

219.9

[M-H]-

465.23949

223.5

[M+NH4]+

484.28059

223.7

[M+K]+

505.20993

216.0

[M+H-H2O]+

449.24403

205.4

[M+HCOO]-

511.24497

233.4

[M+CH3COO]-

525.26062

242.6

[M+Na-2H]-

487.22144

208.2

[M]+

466.24622

220.3

[M]-

466.24732

220.3

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]-5-(4-ethoxyphenyl)-3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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