CID 135420436

Nsc676001

Structural Information

Molecular Formula
C10H12N4O4S
SMILES
C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(S3)CO)O)O
InChI
InChI=1S/C10H12N4O4S/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)
InChIKey
HJYJLNGDBFAKPJ-UHFFFAOYSA-N
Compound name
9-[3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.05792 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06520 160.2
[M+Na]+ 307.04714 171.6
[M-H]- 283.05064 159.7
[M+NH4]+ 302.09174 173.9
[M+K]+ 323.02108 166.2
[M+H-H2O]+ 267.05518 154.5
[M+HCOO]- 329.05612 170.9
[M+CH3COO]- 343.07177 170.7
[M+Na-2H]- 305.03259 158.9
[M]+ 284.05737 161.6
[M]- 284.05847 161.6
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.