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
3
Annotation Hits

19
References

121
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 123.8
[M+Na]+ 160.02297 136.3
[M-H]- 136.02647 120.2
[M+NH4]+ 155.06757 140.4
[M+K]+ 175.99691 132.0
[M+H-H2O]+ 120.03101 115.8
[M+HCOO]- 182.03195 142.8
[M+CH3COO]- 196.04760 136.8
[M+Na-2H]- 158.00842 134.0
[M]+ 137.03320 122.9
[M]- 137.03430 122.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.