CID 455765

2f'-2mes-a

Structural Information

Molecular Formula
C11H14FN5O3S
SMILES
CSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)N
InChI
InChI=1S/C11H14FN5O3S/c1-21-11-15-8(13)6-9(16-11)17(3-14-6)10-5(12)7(19)4(2-18)20-10/h3-5,7,10,18-19H,2H2,1H3,(H2,13,15,16)/t4-,5-,7-,10-/m1/s1
InChIKey
GHHWZEBKBIITMY-QYYRPYCUSA-N
Compound name
(2R,3R,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.08014 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.08742 167.5
[M+Na]+ 338.06936 179.6
[M-H]- 314.07286 168.6
[M+NH4]+ 333.11396 179.9
[M+K]+ 354.04330 175.3
[M+H-H2O]+ 298.07740 160.4
[M+HCOO]- 360.07834 179.0
[M+CH3COO]- 374.09399 178.2
[M+Na-2H]- 336.05481 165.4
[M]+ 315.07959 170.4
[M]- 315.08069 170.4
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.