CID 452722

3'-deoxyribavirin

Structural Information

Molecular Formula
C8H12N4O4
SMILES
C1C(OC(C1O)N2C=NC(=N2)C(=O)N)CO
InChI
InChI=1S/C8H12N4O4/c9-6(15)7-10-3-12(11-7)8-5(14)1-4(2-13)16-8/h3-5,8,13-14H,1-2H2,(H2,9,15)
InChIKey
XKNLIQRSVKDLAN-UHFFFAOYSA-N
Compound name
1-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

228.08586 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09314 147.8
[M+Na]+ 251.07508 155.1
[M-H]- 227.07858 149.0
[M+NH4]+ 246.11968 161.9
[M+K]+ 267.04902 154.2
[M+H-H2O]+ 211.08312 140.2
[M+HCOO]- 273.08406 165.2
[M+CH3COO]- 287.09971 185.0
[M+Na-2H]- 249.06053 147.9
[M]+ 228.08531 145.7
[M]- 228.08641 145.7
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.