CID 100252

Ribavirin monophosphate

Structural Information

Molecular Formula
C8H13N4O8P
SMILES
C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N
InChI
InChI=1S/C8H13N4O8P/c9-6(15)7-10-2-12(11-7)8-5(14)4(13)3(20-8)1-19-21(16,17)18/h2-5,8,13-14H,1H2,(H2,9,15)(H2,16,17,18)/t3-,4-,5-,8-/m1/s1
InChIKey
SDWIOXKHTFOULX-AFCXAGJDSA-N
Compound name
[(2R,3S,4R,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

106
Patents

324.0471 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.05438 165.9
[M+Na]+ 347.03632 168.9
[M+NH4]+ 342.08092 165.9
[M+K]+ 363.01026 176.5
[M-H]- 323.03982 161.4
[M+Na-2H]- 345.02177 162.8
[M]+ 324.04655 163.8
[M]- 324.04765 163.8
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