CID 22792963

5'-o-acetylribavirin

Structural Information

Molecular Formula
C10H14N4O6
SMILES
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC(=N2)C(=O)N)O)O
InChI
InChI=1S/C10H14N4O6/c1-4(15)19-2-5-6(16)7(17)10(20-5)14-3-12-9(13-14)8(11)18/h3,5-7,10,16-17H,2H2,1H3,(H2,11,18)/t5-,6-,7-,10-/m1/s1
InChIKey
SSKIKIHFNHSINB-DAGMQNCNSA-N
Compound name
[(2R,3S,4R,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

286.09134 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09862 162.5
[M+Na]+ 309.08056 168.2
[M+NH4]+ 304.12516 164.7
[M+K]+ 325.05450 172.7
[M-H]- 285.08406 160.6
[M+Na-2H]- 307.06601 161.4
[M]+ 286.09079 161.8
[M]- 286.09189 161.8
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

patents stripe