CID 135538728

132062-70-5

Structural Information

Molecular Formula
C10H12N4O3S
SMILES
C1[C@H](O[C@H](CS1)N2C=NC3=C2N=CNC3=O)CO
InChI
InChI=1S/C10H12N4O3S/c15-1-6-2-18-3-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7-/m1/s1
InChIKey
QYSGOJUTOOBWML-RNFRBKRXSA-N
Compound name
9-[(2R,6R)-6-(hydroxymethyl)-1,4-oxathian-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.06302 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07030 155.7
[M+Na]+ 291.05224 166.1
[M-H]- 267.05574 156.8
[M+NH4]+ 286.09684 167.7
[M+K]+ 307.02618 161.8
[M+H-H2O]+ 251.06028 148.1
[M+HCOO]- 313.06122 166.1
[M+CH3COO]- 327.07687 166.4
[M+Na-2H]- 289.03769 158.5
[M]+ 268.06247 156.4
[M]- 268.06357 156.4
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.