CID 56179

Brn 4516341

Structural Information

Molecular Formula

C₁₄H₁₅NO₅

SMILES

CCOC(=O)CN1C(=O)COC2=C1C=C(C=C2)C(=O)C

InChI

InChI=1S/C14H15NO5/c1-3-19-14(18)7-15-11-6-10(9(2)16)4-5-12(11)20-8-13(15)17/h4-6H,3,7-8H2,1-2H3

InChIKey

XCKOXVMXFRSHCG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 277.09503 Da
Monoisotopic Mass: 1.0
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]+	278.102306	159.4
[M+Na]+	300.084248	166.9
[M-H]-	276.087754	163.1
[M+NH4]+	295.128853	173.9
[M+K]+	316.058188	166.4
[M+H-H2O]+	260.092290	152.1
[M+HCOO]-	322.093231	176.7
[M+CH3COO]-	336.108881	200.0
[M+Na-2H]-	298.069696	163.0
[M]+	277.09448142	163.2
[M]-	277.09557858	163.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe