CID 14471161

121830-24-8

Structural Information

Molecular Formula
C9H7N3O4
SMILES
CC1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(=O)N2
InChI
InChI=1S/C9H7N3O4/c1-4-2-5-6(3-7(4)12(15)16)11-9(14)8(13)10-5/h2-3H,1H3,(H,10,13)(H,11,14)
InChIKey
VREQQHQFADBYHT-UHFFFAOYSA-N
Compound name
6-methyl-7-nitro-1,4-dihydroquinoxaline-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

221.04366 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.05094 140.5
[M+Na]+ 244.03288 150.8
[M-H]- 220.03638 141.1
[M+NH4]+ 239.07748 155.5
[M+K]+ 260.00682 142.2
[M+H-H2O]+ 204.04092 138.3
[M+HCOO]- 266.04186 161.1
[M+CH3COO]- 280.05751 177.3
[M+Na-2H]- 242.01833 150.0
[M]+ 221.04311 138.2
[M]- 221.04421 138.2
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