CID 2840670

52942-50-4

Structural Information

Molecular Formula

C₁₆H₁₅NO₄

SMILES

COC1=C(C=C(C=C1)C2NC(=O)C3=CC=CC=C3O2)OC

InChI

InChI=1S/C16H15NO4/c1-19-13-8-7-10(9-14(13)20-2)16-17-15(18)11-5-3-4-6-12(11)21-16/h3-9,16H,1-2H3,(H,17,18)

InChIKey

AHOCAAUPNWZQCF-UHFFFAOYSA-N

Compound name

2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 285.1001 Da
Monoisotopic Mass: 2.5
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]+	286.107376	163.7
[M+Na]+	308.089318	172.1
[M-H]-	284.092824	169.5
[M+NH4]+	303.133923	177.1
[M+K]+	324.063258	169.3
[M+H-H2O]+	268.097360	155.0
[M+HCOO]-	330.098301	181.4
[M+CH3COO]-	344.113951	199.0
[M+Na-2H]-	306.074766	169.3
[M]+	285.09955142	165.2
[M]-	285.10064858	165.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.