CID 4590141

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

Structural Information

Molecular Formula

C₇H₅BrN₂O₂

SMILES

C1C(=O)NC2=C(O1)N=CC(=C2)Br

InChI

InChI=1S/C7H5BrN2O2/c8-4-1-5-7(9-2-4)12-3-6(11)10-5/h1-2H,3H2,(H,10,11)

InChIKey

UTPFXZJAASMEDW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 136
Patents: 227.95345 Da
Monoisotopic Mass: 0.8
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]+	228.96073	138.6
[M+Na]+	250.94267	142.6
[M+NH4]+	245.98727	143.0
[M+K]+	266.91661	143.2
[M-H]-	226.94617	139.1
[M+Na-2H]-	248.92812	140.8
[M]+	227.95290	138.0
[M]-	227.95400	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe