CID 3000462

6sh2'f-purdr

Structural Information

Molecular Formula
C10H11FN4O3S
SMILES
C1=NC(=S)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F
InChI
InChI=1S/C10H11FN4O3S/c11-5-7(17)4(1-16)18-10(5)15-3-14-6-8(15)12-2-13-9(6)19/h2-5,7,10,16-17H,1H2,(H,12,13,19)/t4-,5-,7-,10-/m1/s1
InChIKey
DLUISRTUOLPTJY-QYYRPYCUSA-N
Compound name
9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

286.0536 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06088 159.3
[M+Na]+ 309.04282 171.9
[M-H]- 285.04632 159.3
[M+NH4]+ 304.08742 172.5
[M+K]+ 325.01676 166.9
[M+H-H2O]+ 269.05086 152.7
[M+HCOO]- 331.05180 169.5
[M+CH3COO]- 345.06745 170.3
[M+Na-2H]- 307.02827 157.8
[M]+ 286.05305 160.6
[M]- 286.05415 160.6
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

patents stripe