CID 22060732

6-nitro-2h-pyrido[3,2-b][1,4]oxazin-3(4h)-one

Structural Information

Molecular Formula
C7H5N3O4
SMILES
C1C(=O)NC2=C(O1)C=CC(=N2)[N+](=O)[O-]
InChI
InChI=1S/C7H5N3O4/c11-6-3-14-4-1-2-5(10(12)13)8-7(4)9-6/h1-2H,3H2,(H,8,9,11)
InChIKey
JANHQSAAMLBUOH-UHFFFAOYSA-N
Compound name
6-nitro-4H-pyrido[3,2-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

195.028 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.03528 134.2
[M+Na]+ 218.01722 141.9
[M-H]- 194.02072 135.6
[M+NH4]+ 213.06182 148.9
[M+K]+ 233.99116 136.5
[M+H-H2O]+ 178.02526 131.4
[M+HCOO]- 240.02620 153.1
[M+CH3COO]- 254.04185 173.1
[M+Na-2H]- 216.00267 145.3
[M]+ 195.02745 130.8
[M]- 195.02855 130.8
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