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
1
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]+ 244.08290 153.1
[M+Na]+ 266.06484 165.6
[M-H]- 242.06834 153.4
[M+NH4]+ 261.10944 168.4
[M+K]+ 282.03878 160.6
[M+H-H2O]+ 226.07288 145.0
[M+HCOO]- 288.07382 172.0
[M+CH3COO]- 302.08947 165.2
[M+Na-2H]- 264.05029 159.7
[M]+ 243.07507 155.3
[M]- 243.07617 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.