CID 451448

Taribavirin

Structural Information

Molecular Formula
C8H13N5O4
SMILES
C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=N)N
InChI
InChI=1S/C8H13N5O4/c9-6(10)7-11-2-13(12-7)8-5(16)4(15)3(1-14)17-8/h2-5,8,14-16H,1H2,(H3,9,10)/t3-,4-,5-,8-/m1/s1
InChIKey
NHKZSTHOYNWEEZ-AFCXAGJDSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

67
References

11442
Patents

243.09676 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10404 152.6
[M+Na]+ 266.08598 158.1
[M+NH4]+ 261.13058 155.8
[M+K]+ 282.05992 162.0
[M-H]- 242.08948 151.9
[M+Na-2H]- 264.07143 152.4
[M]+ 243.09621 152.3
[M]- 243.09731 152.3
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