CID 56183

91119-97-0

Structural Information

Molecular Formula

C₁₅H₁₇NO₅

SMILES

CCOC(=O)C(C)N1C(=O)COC2=C1C=C(C=C2)C(=O)C

InChI

InChI=1S/C15H17NO5/c1-4-20-15(19)9(2)16-12-7-11(10(3)17)5-6-13(12)21-8-14(16)18/h5-7,9H,4,8H2,1-3H3

InChIKey

PCDJMSRCWHEEOL-UHFFFAOYSA-N

Compound name

ethyl 2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 291.1107 Da
Monoisotopic Mass: 1.4
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]+	292.117976	163.7
[M+Na]+	314.099918	170.5
[M-H]-	290.103424	167.3
[M+NH4]+	309.144523	177.5
[M+K]+	330.073858	170.3
[M+H-H2O]+	274.107960	156.4
[M+HCOO]-	336.108901	179.6
[M+CH3COO]-	350.124551	203.9
[M+Na-2H]-	312.085366	165.6
[M]+	291.11015142	167.2
[M]-	291.11124858	167.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe