CID 9816093

Acea-1328

Structural Information

Molecular Formula
C10H9N3O4
SMILES
CC1=CC2=C(C(=C1C)[N+](=O)[O-])NC(=O)C(=O)N2
InChI
InChI=1S/C10H9N3O4/c1-4-3-6-7(8(5(4)2)13(16)17)12-10(15)9(14)11-6/h3H,1-2H3,(H,11,14)(H,12,15)
InChIKey
CYJRVSOLVYLORV-UHFFFAOYSA-N
Compound name
6,7-dimethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

22
Patents

235.05931 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06659 145.3
[M+Na]+ 258.04853 156.1
[M-H]- 234.05203 146.1
[M+NH4]+ 253.09313 160.0
[M+K]+ 274.02247 147.3
[M+H-H2O]+ 218.05657 143.2
[M+HCOO]- 280.05751 165.5
[M+CH3COO]- 294.07316 181.6
[M+Na-2H]- 256.03398 153.6
[M]+ 235.05876 143.8
[M]- 235.05986 143.8
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

No patent data available for this compound.