CID 135410202

Chembl417913

Structural Information

Molecular Formula
C11H10N4O2
SMILES
CC1=CC2=C(C=C1C)[N+](=C(C(=[N+]2[O-])C#N)N)[O-]
InChI
InChI=1S/C11H10N4O2/c1-6-3-8-9(4-7(6)2)15(17)11(13)10(5-12)14(8)16/h3-4H,13H2,1-2H3
InChIKey
YNCIIHQBEFVZBX-UHFFFAOYSA-N
Compound name
3-amino-6,7-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

230.08037 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.08765 158.5
[M+Na]+ 253.06959 169.7
[M-H]- 229.07309 157.8
[M+NH4]+ 248.11419 171.0
[M+K]+ 269.04353 156.3
[M+H-H2O]+ 213.07763 153.6
[M+HCOO]- 275.07857 174.0
[M+CH3COO]- 289.09422 190.7
[M+Na-2H]- 251.05504 165.4
[M]+ 230.07982 149.6
[M]- 230.08092 149.6
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.