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

37
Patents

255.98474 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.992016 144.0
[M+Na]+ 278.973958 157.1
[M-H]- 254.977464 148.4
[M+NH4]+ 274.018563 163.5
[M+K]+ 294.947898 146.9
[M+H-H2O]+ 238.982000 144.1
[M+HCOO]- 300.982941 159.1
[M+CH3COO]- 314.998591 188.7
[M+Na-2H]- 276.959406 153.6
[M]+ 255.98419142 162.3
[M]- 255.98528858 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