CID 454191

6mespur-ddisonucl

Structural Information

Molecular Formula
C11H14N4O2S
SMILES
CSC1=NC=NC2=C1N=CN2[C@@H]3C[C@@H](OC3)CO
InChI
InChI=1S/C11H14N4O2S/c1-18-11-9-10(12-5-13-11)15(6-14-9)7-2-8(3-16)17-4-7/h5-8,16H,2-4H2,1H3/t7-,8-/m1/s1
InChIKey
FIIYKOVHNCRFGX-HTQZYQBOSA-N
Compound name
[(2R,4R)-4-(6-methylsulfanylpurin-9-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.08374 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09102 156.9
[M+Na]+ 289.07296 168.4
[M-H]- 265.07646 160.2
[M+NH4]+ 284.11756 172.1
[M+K]+ 305.04690 165.5
[M+H-H2O]+ 249.08100 150.0
[M+HCOO]- 311.08194 170.7
[M+CH3COO]- 325.09759 169.0
[M+Na-2H]- 287.05841 157.4
[M]+ 266.08319 161.5
[M]- 266.08429 161.5
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

No patent data available for this compound.