CID 452721

2',3'-epoxy ribavirin

Structural Information

Molecular Formula
C8H10N4O4
SMILES
C1=NC(=NN1C2C3C(O3)C(O2)CO)C(=O)N
InChI
InChI=1S/C8H10N4O4/c9-6(14)7-10-2-12(11-7)8-5-4(16-5)3(1-13)15-8/h2-5,8,13H,1H2,(H2,9,14)
InChIKey
LNMRCEJNQCIOJF-UHFFFAOYSA-N
Compound name
1-[4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-1,2,4-triazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0702 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.077476 152.1
[M+Na]+ 249.059418 163.2
[M-H]- 225.062924 156.8
[M+NH4]+ 244.104023 162.3
[M+K]+ 265.033358 160.7
[M+H-H2O]+ 209.067460 145.3
[M+HCOO]- 271.068401 169.5
[M+CH3COO]- 285.084051 163.9
[M+Na-2H]- 247.044866 154.4
[M]+ 226.06965142 156.4
[M]- 226.07074858 156.4
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.