CID 5486548

143151-35-3

Structural Information

Molecular Formula
C11H7N5O4
SMILES
C1=CN(C=N1)C2=C(C=C3C(=C2)NC(=O)C(=O)N3)[N+](=O)[O-]
InChI
InChI=1S/C11H7N5O4/c17-10-11(18)14-7-4-9(16(19)20)8(3-6(7)13-10)15-2-1-12-5-15/h1-5H,(H,13,17)(H,14,18)
InChIKey
GBWIZNYOJITVFI-UHFFFAOYSA-N
Compound name
6-imidazol-1-yl-7-nitro-1,4-dihydroquinoxaline-2,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

48
References

329
Patents

273.0498 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.05708 153.5
[M+Na]+ 296.03902 168.7
[M+NH4]+ 291.08362 158.6
[M+K]+ 312.01296 168.4
[M-H]- 272.04252 155.0
[M+Na-2H]- 294.02447 160.1
[M]+ 273.04925 155.7
[M]- 273.05035 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe