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 143.2
[M+Na]+ 260.02779 153.2
[M-H]- 236.03129 143.8
[M+NH4]+ 255.07239 157.4
[M+K]+ 276.00173 145.2
[M+H-H2O]+ 220.03583 140.7
[M+HCOO]- 282.03677 163.9
[M+CH3COO]- 296.05242 179.6
[M+Na-2H]- 258.01324 152.9
[M]+ 237.03802 142.3
[M]- 237.03912 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