PubChemLite - 1-[2-(diethylamino)ethyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxy-2-methylbenzoyl)-2,5-dihydro-1h-pyrrol-2-one (C26H32N2O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C26H32N2O6/c1-6-27(7-2)12-13-28-23(17-8-11-20(29)21(15-17)34-5)22(25(31)26(28)32)24(30)19-10-9-18(33-4)14-16(19)3/h8-11,14-15,23,29-30H,6-7,12-13H2,1-5H3

InChIKey

NLCOVAATYOKHMQ-UHFFFAOYSA-N

Compound name

1-[2-(diethylamino)ethyl]-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-5-(4-hydroxy-3-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]+	469.23332	213.1
[M+Na]+	491.21526	218.4
[M-H]-	467.21876	220.6
[M+NH4]+	486.25986	220.9
[M+K]+	507.18920	214.9
[M+H-H2O]+	451.22330	203.9
[M+HCOO]-	513.22424	230.3
[M+CH3COO]-	527.23989	241.2
[M+Na-2H]-	489.20071	205.9
[M]+	468.22549	218.0
[M]-	468.22659	218.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.23332

213.1

[M+Na]+

491.21526

218.4

[M-H]-

467.21876

220.6

[M+NH4]+

486.25986

220.9

[M+K]+

507.18920

214.9

[M+H-H2O]+

451.22330

203.9

[M+HCOO]-

513.22424

230.3

[M+CH3COO]-

527.23989

241.2

[M+Na-2H]-

489.20071

205.9

[M]+

468.22549

218.0

[M]-

468.22659

218.0

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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