CID 139594652

Dtxsid201028728

Structural Information

Molecular Formula

C₁₄H₁₇NO₅

SMILES

CCOC1=C(C=C(C=C1)N2C(=O)C(OC2=O)C)OCC

InChI

InChI=1S/C14H17NO5/c1-4-18-11-7-6-10(8-12(11)19-5-2)15-13(16)9(3)20-14(15)17/h6-9H,4-5H2,1-3H3

InChIKey

CYUKLOPUJKXNNS-UHFFFAOYSA-N

Compound name

3-(3,4-diethoxyphenyl)-5-methyl-1,3-oxazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 279.1107 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

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]+	280.117976	160.0
[M+Na]+	302.099918	169.3
[M-H]-	278.103424	166.7
[M+NH4]+	297.144523	175.7
[M+K]+	318.073858	168.4
[M+H-H2O]+	262.107960	153.0
[M+HCOO]-	324.108901	181.4
[M+CH3COO]-	338.124551	200.1
[M+Na-2H]-	300.085366	161.3
[M]+	279.11015142	165.9
[M]-	279.11124858	165.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.