CID 15925990

335032-38-7

Structural Information

Molecular Formula

C₇H₅BrN₂O₂

SMILES

C1C2=C(NC(=O)O1)N=CC(=C2)Br

InChI

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

InChIKey

UQKSYBHWHOLZKA-UHFFFAOYSA-N

Compound name

6-bromo-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 227.95345 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]+	228.96073	136.8
[M+Na]+	250.94267	149.0
[M-H]-	226.94617	140.8
[M+NH4]+	245.98727	155.2
[M+K]+	266.91661	138.9
[M+H-H2O]+	210.95071	136.4
[M+HCOO]-	272.95165	152.6
[M+CH3COO]-	286.96730	151.3
[M+Na-2H]-	248.92812	147.0
[M]+	227.95290	153.6
[M]-	227.95400	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe