CID 451947

D4-ribavirin

Structural Information

Molecular Formula
C8H10N4O3
SMILES
C1=C[C@@H](O[C@@H]1CO)N2C=NC(=N2)C(=O)N
InChI
InChI=1S/C8H10N4O3/c9-7(14)8-10-4-12(11-8)6-2-1-5(3-13)15-6/h1-2,4-6,13H,3H2,(H2,9,14)/t5-,6+/m0/s1
InChIKey
RAQSTELPKQLBOP-NTSWFWBYSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-1,2,4-triazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

210.07529 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08257 142.8
[M+Na]+ 233.06451 150.9
[M-H]- 209.06801 145.4
[M+NH4]+ 228.10911 158.3
[M+K]+ 249.03845 150.1
[M+H-H2O]+ 193.07255 134.8
[M+HCOO]- 255.07349 163.1
[M+CH3COO]- 269.08914 183.3
[M+Na-2H]- 231.04996 144.9
[M]+ 210.07474 142.2
[M]- 210.07584 142.2
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.