CID 478563

4-methylthio-7-(.beta.-d-ribofuranosyl)imidazo[4,5-d][1,2,3]triazine

Structural Information

Molecular Formula
C10H13N5O4S
SMILES
CSC1=NN=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C10H13N5O4S/c1-20-9-5-8(12-14-13-9)15(3-11-5)10-7(18)6(17)4(2-16)19-10/h3-4,6-7,10,16-18H,2H2,1H3/t4-,6-,7-,10-/m1/s1
InChIKey
DZGAOCVTUSIKML-KQYNXXCUSA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-methylsulfanylimidazo[4,5-d]triazin-7-yl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.06882 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.07610 164.4
[M+Na]+ 322.05804 176.3
[M-H]- 298.06154 164.6
[M+NH4]+ 317.10264 175.7
[M+K]+ 338.03198 172.8
[M+H-H2O]+ 282.06608 158.1
[M+HCOO]- 344.06702 174.4
[M+CH3COO]- 358.08267 174.9
[M+Na-2H]- 320.04349 163.3
[M]+ 299.06827 169.1
[M]- 299.06937 169.1
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.