CID 476446

[(2s,3s,5r)-5-(2-amino-6-methylsulfanyl-purin-9-yl)-3-azido-tetrahydrofuran-2-yl]methanol

Structural Information

Molecular Formula
C11H14N8O2S
SMILES
CSC1=NC(=NC2=C1N=CN2[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-])N
InChI
InChI=1S/C11H14N8O2S/c1-22-10-8-9(15-11(12)16-10)19(4-14-8)7-2-5(17-18-13)6(3-20)21-7/h4-7,20H,2-3H2,1H3,(H2,12,15,16)/t5-,6+,7+/m0/s1
InChIKey
OZFKXNKWFFANRZ-RRKCRQDMSA-N
Compound name
[(2S,3S,5R)-5-(2-amino-6-methylsulfanylpurin-9-yl)-3-azidooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.09604 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10332 167.3
[M+Na]+ 345.08526 176.7
[M-H]- 321.08876 173.3
[M+NH4]+ 340.12986 179.5
[M+K]+ 361.05920 168.3
[M+H-H2O]+ 305.09330 163.0
[M+HCOO]- 367.09424 187.5
[M+CH3COO]- 381.10989 207.7
[M+Na-2H]- 343.07071 173.4
[M]+ 322.09549 167.6
[M]- 322.09659 167.6
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

No patent data available for this compound.