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

literature stripe

Patent stripe

patents stripe