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
1
Annotation Hits

0
References

10
Patents

237.03857 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.04585 144.3
[M+Na]+ 260.02779 158.2
[M+NH4]+ 255.07239 149.9
[M+K]+ 276.00173 156.5
[M-H]- 236.03129 144.8
[M+Na-2H]- 258.01324 148.7
[M]+ 237.03802 146.0
[M]- 237.03912 146.0
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