CID 11064107

2-hydroxy-4,7-dimethoxy-2h-1,4-benzoxazin-3(4h)-one

Structural Information

Molecular Formula

C₁₀H₁₁NO₅

SMILES

COC1=CC2=C(C=C1)N(C(=O)C(O2)O)OC

InChI

InChI=1S/C10H11NO5/c1-14-6-3-4-7-8(5-6)16-10(13)9(12)11(7)15-2/h3-5,10,13H,1-2H3

InChIKey

XCSFLMDXLJMLBA-UHFFFAOYSA-N

Compound name

2-hydroxy-4,7-dimethoxy-1,4-benzoxazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 34
Patents: 225.06372 Da
Monoisotopic Mass: 0.5
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]+	226.07100	145.4
[M+Na]+	248.05294	158.1
[M+NH4]+	243.09754	152.3
[M+K]+	264.02688	153.9
[M-H]-	224.05644	147.1
[M+Na-2H]-	246.03839	148.8
[M]+	225.06317	147.5
[M]-	225.06427	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe