CID 15925983

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

Structural Information

Molecular Formula
C7H5BrN2O2
SMILES
C1C(=O)NC2=C(O1)C=C(C=N2)Br
InChI
InChI=1S/C7H5BrN2O2/c8-4-1-5-7(9-2-4)10-6(11)3-12-5/h1-2H,3H2,(H,9,10,11)
InChIKey
ATRMUPKQFDRURR-UHFFFAOYSA-N
Compound name
7-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

227.95345 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.960726 136.8
[M+Na]+ 250.942668 149.0
[M-H]- 226.946174 140.8
[M+NH4]+ 245.987273 155.2
[M+K]+ 266.916608 138.9
[M+H-H2O]+ 210.950710 136.4
[M+HCOO]- 272.951651 152.6
[M+CH3COO]- 286.967301 151.3
[M+Na-2H]- 248.928116 147.0
[M]+ 227.95290142 153.6
[M]- 227.95399858 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