CID 135511276

Chembl155777

Structural Information

Molecular Formula
C10H11N7O2S
SMILES
C1[C@@H](S[C@@H]([C@H]1N=[N+]=[N-])N2C=NC3=C2N=CNC3=O)CO
InChI
InChI=1S/C10H11N7O2S/c11-16-15-6-1-5(2-18)20-10(6)17-4-14-7-8(17)12-3-13-9(7)19/h3-6,10,18H,1-2H2,(H,12,13,19)/t5-,6+,10+/m1/s1
InChIKey
LYIMYZMUCXHUKQ-KORWRZNCSA-N
Compound name
9-[(2S,3S,5R)-3-azido-5-(hydroxymethyl)thiolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

293.0695 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.07678 158.8
[M+Na]+ 316.05872 168.3
[M-H]- 292.06222 163.1
[M+NH4]+ 311.10332 173.0
[M+K]+ 332.03266 158.6
[M+H-H2O]+ 276.06676 154.8
[M+HCOO]- 338.06770 178.6
[M+CH3COO]- 352.08335 195.7
[M+Na-2H]- 314.04417 165.1
[M]+ 293.06895 157.0
[M]- 293.07005 157.0
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

No patent data available for this compound.