CID 14657005

Schembl9350338

Structural Information

Molecular Formula
C10H13N5O4S
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3S(=O)N)CO)O
InChI
InChI=1S/C10H13N5O4S/c11-20(18)10-8-9(12-3-13-10)15(4-14-8)7-1-5(17)6(2-16)19-7/h3-7,16-17H,1-2,11H2/t5-,6+,7+,20?/m0/s1
InChIKey
WTKNCXLDQPUQSY-IWHGJXDVSA-N
Compound name
9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-sulfinamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

299.06882 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.07610 162.2
[M+Na]+ 322.05804 172.7
[M-H]- 298.06154 164.3
[M+NH4]+ 317.10264 174.6
[M+K]+ 338.03198 169.8
[M+H-H2O]+ 282.06608 155.8
[M+HCOO]- 344.06702 174.6
[M+CH3COO]- 358.08267 173.0
[M+Na-2H]- 320.04349 161.8
[M]+ 299.06827 165.0
[M]- 299.06937 165.0
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.