CID 14471162

1,4-dihydro-6-methoxy-7-nitroquinoxaline-2,3-dione

Structural Information

Molecular Formula
C9H7N3O5
SMILES
COC1=C(C=C2C(=C1)NC(=O)C(=O)N2)[N+](=O)[O-]
InChI
InChI=1S/C9H7N3O5/c1-17-7-3-5-4(2-6(7)12(15)16)10-8(13)9(14)11-5/h2-3H,1H3,(H,10,13)(H,11,14)
InChIKey
ALRTZORJZUBQGM-UHFFFAOYSA-N
Compound name
6-methoxy-7-nitro-1,4-dihydroquinoxaline-2,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

237.03857 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.045846 143.2
[M+Na]+ 260.027788 153.2
[M-H]- 236.031294 143.8
[M+NH4]+ 255.072393 157.4
[M+K]+ 276.001728 145.2
[M+H-H2O]+ 220.035830 140.7
[M+HCOO]- 282.036771 163.9
[M+CH3COO]- 296.052421 179.6
[M+Na-2H]- 258.013236 152.9
[M]+ 237.03802142 142.3
[M]- 237.03911858 142.3
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