CID 45480401

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

Structural Information

Molecular Formula
C9H9N3O4
SMILES
CC1(C(=O)NC2=C(O1)C=CC(=N2)[N+](=O)[O-])C
InChI
InChI=1S/C9H9N3O4/c1-9(2)8(13)11-7-5(16-9)3-4-6(10-7)12(14)15/h3-4H,1-2H3,(H,10,11,13)
InChIKey
QPNDHHGIJAMRMD-UHFFFAOYSA-N
Compound name
2,2-dimethyl-6-nitro-4H-pyrido[3,2-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

223.05931 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.06659 143.0
[M+Na]+ 246.04853 151.8
[M-H]- 222.05203 144.9
[M+NH4]+ 241.09313 159.0
[M+K]+ 262.02247 146.3
[M+H-H2O]+ 206.05657 140.9
[M+HCOO]- 268.05751 161.3
[M+CH3COO]- 282.07316 179.9
[M+Na-2H]- 244.03398 153.8
[M]+ 223.05876 141.2
[M]- 223.05986 141.2
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