CID 57742040

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

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.99202 144.0
[M+Na]+ 278.97396 157.1
[M-H]- 254.97746 148.4
[M+NH4]+ 274.01856 163.5
[M+K]+ 294.94790 146.9
[M+H-H2O]+ 238.98200 144.1
[M+HCOO]- 300.98294 159.1
[M+CH3COO]- 314.99859 188.7
[M+Na-2H]- 276.95941 153.6
[M]+ 255.98419 162.3
[M]- 255.98529 162.3
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