CID 4590141

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

138
Patents

227.95345 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe