CID 45480401

1002726-59-1

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 144.2
[M+Na]+ 246.04853 157.5
[M+NH4]+ 241.09313 152.2
[M+K]+ 262.02247 153.8
[M-H]- 222.05203 146.8
[M+Na-2H]- 244.03398 149.3
[M]+ 223.05876 146.7
[M]- 223.05986 146.7
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