PubChemLite - 1-[2-(diethylamino)ethyl]-3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(4-methoxyphenyl)-2,5-dihydro-1h-pyrrol-2-one (C26H32N2O5)

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)OC

InChI

InChI=1S/C26H32N2O5/c1-6-27(7-2)14-15-28-23(18-8-11-20(32-4)12-9-18)22(25(30)26(28)31)24(29)19-10-13-21(33-5)17(3)16-19/h8-13,16,23,29H,6-7,14-15H2,1-5H3

InChIKey

PYNSIFGCPUOJLK-UHFFFAOYSA-N

Compound name

1-[2-(diethylamino)ethyl]-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-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]+	453.23838	210.8
[M+Na]+	475.22032	216.0
[M-H]-	451.22382	219.3
[M+NH4]+	470.26492	219.8
[M+K]+	491.19426	212.2
[M+H-H2O]+	435.22836	201.1
[M+HCOO]-	497.22930	229.3
[M+CH3COO]-	511.24495	239.7
[M+Na-2H]-	473.20577	204.3
[M]+	452.23055	215.6
[M]-	452.23165	215.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.23838

210.8

[M+Na]+

475.22032

216.0

[M-H]-

451.22382

219.3

[M+NH4]+

470.26492

219.8

[M+K]+

491.19426

212.2

[M+H-H2O]+

435.22836

201.1

[M+HCOO]-

497.22930

229.3

[M+CH3COO]-

511.24495

239.7

[M+Na-2H]-

473.20577

204.3

[M]+

452.23055

215.6

[M]-

452.23165

215.6

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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