CID 14657008

Schembl9350490

Structural Information

Molecular Formula
C10H13N5O5S
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3S(=O)(=O)N)CO)O
InChI
InChI=1S/C10H13N5O5S/c11-21(18,19)10-8-9(12-3-13-10)15(4-14-8)7-1-5(17)6(2-16)20-7/h3-7,16-17H,1-2H2,(H2,11,18,19)/t5-,6+,7+/m0/s1
InChIKey
ILAVFZUCFZBBQF-RRKCRQDMSA-N
Compound name
9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

315.06375 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07103 167.1
[M+Na]+ 338.05297 177.9
[M-H]- 314.05647 169.3
[M+NH4]+ 333.09757 178.6
[M+K]+ 354.02691 175.1
[M+H-H2O]+ 298.06101 161.2
[M+HCOO]- 360.06195 179.1
[M+CH3COO]- 374.07760 197.8
[M+Na-2H]- 336.03842 169.0
[M]+ 315.06320 170.5
[M]- 315.06430 170.5
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.