CID 57742040

894852-01-8

Structural Information

Molecular Formula

C₉H₉BrN₂O₂

SMILES

CC1(C(=O)NC2=C(O1)C=C(C=N2)Br)C

InChI

InChI=1S/C9H9BrN2O2/c1-9(2)8(13)12-7-6(14-9)3-5(10)4-11-7/h3-4H,1-2H3,(H,11,12,13)

InChIKey

RWDKWNQIMXGFDK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 255.98474 Da
Monoisotopic Mass: 1.4
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]+	256.99202	147.8
[M+Na]+	278.97396	151.8
[M+NH4]+	274.01856	153.2
[M+K]+	294.94790	150.8
[M-H]-	254.97746	148.4
[M+Na-2H]-	276.95941	150.6
[M]+	255.98419	147.5
[M]-	255.98529	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe