CID 21873737

443956-11-4

Structural Information

Molecular Formula
C8H6N2O3
SMILES
C1C(=O)NC2=C(O1)C=CC(=N2)C=O
InChI
InChI=1S/C8H6N2O3/c11-3-5-1-2-6-8(9-5)10-7(12)4-13-6/h1-3H,4H2,(H,9,10,12)
InChIKey
XOXXGNIBXYQQNS-UHFFFAOYSA-N
Compound name
3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

327
Patents

178.03784 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04512 133.4
[M+Na]+ 201.02706 142.7
[M-H]- 177.03056 134.7
[M+NH4]+ 196.07166 149.9
[M+K]+ 217.00100 140.8
[M+H-H2O]+ 161.03510 126.3
[M+HCOO]- 223.03604 151.3
[M+CH3COO]- 237.05169 176.1
[M+Na-2H]- 199.01251 142.3
[M]+ 178.03729 132.4
[M]- 178.03839 132.4
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