CID 22060563

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

Structural Information

Molecular Formula
C7H7N3O2
SMILES
C1C(=O)NC2=C(O1)C=CC(=N2)N
InChI
InChI=1S/C7H7N3O2/c8-5-2-1-4-7(9-5)10-6(11)3-12-4/h1-2H,3H2,(H3,8,9,10,11)
InChIKey
RIOMUKYDWGTOAF-UHFFFAOYSA-N
Compound name
6-amino-4H-pyrido[3,2-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

165.05383 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06111 132.0
[M+Na]+ 188.04305 140.7
[M-H]- 164.04655 132.9
[M+NH4]+ 183.08765 148.5
[M+K]+ 204.01699 138.5
[M+H-H2O]+ 148.05109 124.8
[M+HCOO]- 210.05203 150.2
[M+CH3COO]- 224.06768 144.5
[M+Na-2H]- 186.02850 140.7
[M]+ 165.05328 128.2
[M]- 165.05438 128.2
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