CID 121552465

6-amino-7-fluoro-2h,3h,4h-pyrido[3,2-b][1,4]oxazin-3-one

Structural Information

Molecular Formula
C7H6FN3O2
SMILES
C1C(=O)NC2=NC(=C(C=C2O1)F)N
InChI
InChI=1S/C7H6FN3O2/c8-3-1-4-7(11-6(3)9)10-5(12)2-13-4/h1H,2H2,(H3,9,10,11,12)
InChIKey
WPDBTFMEWIMMPK-UHFFFAOYSA-N
Compound name
6-amino-7-fluoro-4H-pyrido[3,2-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.0444 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05168 135.4
[M+Na]+ 206.03362 145.1
[M-H]- 182.03712 135.2
[M+NH4]+ 201.07822 151.4
[M+K]+ 222.00756 142.4
[M+H-H2O]+ 166.04166 127.4
[M+HCOO]- 228.04260 152.5
[M+CH3COO]- 242.05825 180.1
[M+Na-2H]- 204.01907 142.7
[M]+ 183.04385 130.9
[M]- 183.04495 130.9
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

No patent data available for this compound.