CID 3002157

2-amino-9-[(2r,4s,5s)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1h-purine-6-thione

Structural Information

Molecular Formula
C10H12N8O2S
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=S)N)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H12N8O2S/c11-10-14-8-7(9(21)15-10)13-3-18(8)6-1-4(16-17-12)5(2-19)20-6/h3-6,19H,1-2H2,(H3,11,14,15,21)/t4-,5+,6+/m0/s1
InChIKey
KAJBAHVULXPFIM-KVQBGUIXSA-N
Compound name
2-amino-9-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.08038 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.08766 162.7
[M+Na]+ 331.06960 172.3
[M-H]- 307.07310 167.5
[M+NH4]+ 326.11420 174.7
[M+K]+ 347.04354 162.7
[M+H-H2O]+ 291.07764 158.9
[M+HCOO]- 353.07858 181.9
[M+CH3COO]- 367.09423 201.6
[M+Na-2H]- 329.05505 168.8
[M]+ 308.07983 160.2
[M]- 308.08093 160.2
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.