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]+ 227.07748 152.1
[M+Na]+ 249.05942 163.2
[M-H]- 225.06292 156.8
[M+NH4]+ 244.10402 162.3
[M+K]+ 265.03336 160.7
[M+H-H2O]+ 209.06746 145.3
[M+HCOO]- 271.06840 169.5
[M+CH3COO]- 285.08405 163.9
[M+Na-2H]- 247.04487 154.4
[M]+ 226.06965 156.4
[M]- 226.07075 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.