CID 136013473

2,7-quinoxalinedicarbonitrile, 3-amino-, 1,4-dioxide

Structural Information

Molecular Formula
C10H5N5O2
SMILES
C1=CC2=C(C=C1C#N)[N+](=C(C(=[N+]2[O-])N)C#N)[O-]
InChI
InChI=1S/C10H5N5O2/c11-4-6-1-2-7-8(3-6)14(16)9(5-12)10(13)15(7)17/h1-3H,13H2
InChIKey
ZCDMRHWBQJWBJK-UHFFFAOYSA-N
Compound name
3-amino-1,4-dioxidoquinoxaline-1,4-diium-2,7-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

227.04433 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05161 168.3
[M+Na]+ 250.03355 178.0
[M-H]- 226.03705 167.7
[M+NH4]+ 245.07815 176.7
[M+K]+ 266.00749 167.2
[M+H-H2O]+ 210.04159 158.3
[M+HCOO]- 272.04253 177.5
[M+CH3COO]- 286.05818 210.2
[M+Na-2H]- 248.01900 171.8
[M]+ 227.04378 156.5
[M]- 227.04488 156.5
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

No patent data available for this compound.