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]+ 236.066586 145.3
[M+Na]+ 258.048528 156.1
[M-H]- 234.052034 146.1
[M+NH4]+ 253.093133 160.0
[M+K]+ 274.022468 147.3
[M+H-H2O]+ 218.056570 143.2
[M+HCOO]- 280.057511 165.5
[M+CH3COO]- 294.073161 181.6
[M+Na-2H]- 256.033976 153.6
[M]+ 235.05876142 143.8
[M]- 235.05985858 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

literature stripe

Patent stripe

patents stripe