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

20
Patents

221.04366 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.050936 140.5
[M+Na]+ 244.032878 150.8
[M-H]- 220.036384 141.1
[M+NH4]+ 239.077483 155.5
[M+K]+ 260.006818 142.2
[M+H-H2O]+ 204.040920 138.3
[M+HCOO]- 266.041861 161.1
[M+CH3COO]- 280.057511 177.3
[M+Na-2H]- 242.018326 150.0
[M]+ 221.04311142 138.2
[M]- 221.04420858 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