CID 57613629

2260931-80-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

165.05383 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.061106 132.0
[M+Na]+ 188.043048 140.7
[M-H]- 164.046554 132.9
[M+NH4]+ 183.087653 148.5
[M+K]+ 204.016988 138.5
[M+H-H2O]+ 148.051090 124.8
[M+HCOO]- 210.052031 150.2
[M+CH3COO]- 224.067681 144.5
[M+Na-2H]- 186.028496 140.7
[M]+ 165.05328142 128.2
[M]- 165.05437858 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