CID 135461745

Chembl341515

Structural Information

Molecular Formula
C9H10N4O3Se
SMILES
C1[C@H](O[C@@H]([Se]1)CO)N2C=NC3=C2N=CNC3=O
InChI
InChI=1S/C9H10N4O3Se/c14-1-6-16-5(2-17-6)13-4-12-7-8(13)10-3-11-9(7)15/h3-6,14H,1-2H2,(H,10,11,15)/t5-,6-/m0/s1
InChIKey
YXKMIUWRLJFPHB-WDSKDSINSA-N
Compound name
9-[(2S,5S)-2-(hydroxymethyl)-1,3-oxaselenolan-5-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.99182 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.99910 160.6
[M+Na]+ 324.98104 170.5
[M-H]- 300.98454 161.7
[M+NH4]+ 320.02564 174.3
[M+K]+ 340.95498 167.0
[M+H-H2O]+ 284.98908 151.9
[M+HCOO]- 346.99002 177.1
[M+CH3COO]- 361.00567 171.5
[M+Na-2H]- 322.96649 162.9
[M]+ 301.99127 161.0
[M]- 301.99237 161.0
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.