CID 139486088

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

Structural Information

Molecular Formula
C9H9BrN2O2
SMILES
CC1(C(=O)NC2=C(O1)N=CC(=C2)Br)C
InChI
InChI=1S/C9H9BrN2O2/c1-9(2)8(13)12-6-3-5(10)4-11-7(6)14-9/h3-4H,1-2H3,(H,12,13)
InChIKey
PCJFREOEHIOWBG-UHFFFAOYSA-N
Compound name
7-bromo-3,3-dimethyl-1H-pyrido[2,3-b][1,4]oxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
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 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
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