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

341
Patents

178.03784 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.045116 133.4
[M+Na]+ 201.027058 142.7
[M-H]- 177.030564 134.7
[M+NH4]+ 196.071663 149.9
[M+K]+ 217.000998 140.8
[M+H-H2O]+ 161.035100 126.3
[M+HCOO]- 223.036041 151.3
[M+CH3COO]- 237.051691 176.1
[M+Na-2H]- 199.012506 142.3
[M]+ 178.03729142 132.4
[M]- 178.03838858 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