CID 85785449

Ns00117020

Structural Information

Molecular Formula
C11H9N5O2
SMILES
CN1C2=C(C3=NC(=CN=C3C=C2)C(=O)O)N=C1N
InChI
InChI=1S/C11H9N5O2/c1-16-7-3-2-5-8(9(7)15-11(16)12)14-6(4-13-5)10(17)18/h2-4H,1H3,(H2,12,15)(H,17,18)
InChIKey
NKWBDQYTYVRHRD-UHFFFAOYSA-N
Compound name
2-amino-3-methylimidazo[4,5-h]quinoxaline-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

0
Patents

243.07562 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.082896 153.1
[M+Na]+ 266.064838 165.6
[M-H]- 242.068344 153.4
[M+NH4]+ 261.109443 168.4
[M+K]+ 282.038778 160.6
[M+H-H2O]+ 226.072880 145.0
[M+HCOO]- 288.073821 172.0
[M+CH3COO]- 302.089471 165.2
[M+Na-2H]- 264.050286 159.7
[M]+ 243.07507142 155.3
[M]- 243.07616858 155.3
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.