CID 77228586

Ym 90k

Structural Information

Molecular Formula
C11H5N5O4
SMILES
C1=CN(C=N1)C2=CC3=NC(=O)C(=O)N=C3C=C2[N+](=O)[O-]
InChI
InChI=1S/C11H5N5O4/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
InChIKey
AMYRQZGTYKEDNI-UHFFFAOYSA-N
Compound name
6-imidazol-1-yl-7-nitroquinoxaline-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

35
References

0
Patents

271.03415 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.04143 154.7
[M+Na]+ 294.02337 165.5
[M-H]- 270.02687 158.9
[M+NH4]+ 289.06797 167.3
[M+K]+ 309.99731 157.3
[M+H-H2O]+ 254.03141 149.5
[M+HCOO]- 316.03235 176.8
[M+CH3COO]- 330.04800 190.4
[M+Na-2H]- 292.00882 164.2
[M]+ 271.03360 155.4
[M]- 271.03470 155.4
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

No patent data available for this compound.