CID 57671676

1034131-05-9

Structural Information

Molecular Formula

C₇H₃BrN₂O₃

SMILES

C1=C(C=NC2=C1NC(=O)OC2=O)Br

InChI

InChI=1S/C7H3BrN2O3/c8-3-1-4-5(9-2-3)6(11)13-7(12)10-4/h1-2H,(H,10,12)

InChIKey

QHMOKILHDDNHFQ-UHFFFAOYSA-N

Compound name

7-bromo-1H-pyrido[3,2-d][1,3]oxazine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 241.9327 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]+	242.93998	134.8
[M+Na]+	264.92192	149.8
[M-H]-	240.92542	139.8
[M+NH4]+	259.96652	153.0
[M+K]+	280.89586	139.3
[M+H-H2O]+	224.92996	134.4
[M+HCOO]-	286.93090	153.5
[M+CH3COO]-	300.94655	150.5
[M+Na-2H]-	262.90737	146.3
[M]+	241.93215	155.3
[M]-	241.93325	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe