CID 135421876

2-azahypoxanthine

Structural Information

Molecular Formula
C4H3N5O
SMILES
C1=NC2=C(N1)C(=O)NN=N2
InChI
InChI=1S/C4H3N5O/c10-4-2-3(6-1-5-2)7-9-8-4/h1H,(H2,5,6,7,8,10)
InChIKey
BTERLCQQBYXVIN-UHFFFAOYSA-N
Compound name
3,5-dihydroimidazo[4,5-d]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

66
Patents

137.03375 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.04103 123.2
[M+Na]+ 160.02297 136.6
[M+NH4]+ 155.06757 129.4
[M+K]+ 175.99691 133.8
[M-H]- 136.02647 121.0
[M+Na-2H]- 158.00842 129.2
[M]+ 137.03320 124.1
[M]- 137.03430 124.1
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

patents stripe