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

literature stripe

Patent stripe

patents stripe