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

literature stripe

Patent stripe

patents stripe