CID 19031659

1h-pyrido[3,4-b][1,4]oxazin-2(3h)-one

Structural Information

Molecular Formula

C₇H₆N₂O₂

SMILES

C1C(=O)NC2=C(O1)C=NC=C2

InChI

InChI=1S/C7H6N2O2/c10-7-4-11-6-3-8-2-1-5(6)9-7/h1-3H,4H2,(H,9,10)

InChIKey

VFLQBRXQPWSXGJ-UHFFFAOYSA-N

Compound name

1H-pyrido[3,4-b][1,4]oxazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 210
Patents: 150.04292 Da
Monoisotopic Mass: -0.2
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]+	151.05020	126.9
[M+Na]+	173.03214	135.5
[M-H]-	149.03564	127.9
[M+NH4]+	168.07674	144.3
[M+K]+	189.00608	133.8
[M+H-H2O]+	133.04018	119.8
[M+HCOO]-	195.04112	144.7
[M+CH3COO]-	209.05677	139.9
[M+Na-2H]-	171.01759	137.0
[M]+	150.04237	124.3
[M]-	150.04347	124.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe