CID 259747

4594-45-0

Structural Information

Molecular Formula
C10H11ClN4O3
SMILES
C1C(C(OC1N2C=NC3=C2N=CN=C3Cl)CO)O
InChI
InChI=1S/C10H11ClN4O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2
InChIKey
PGEULCIODBNODW-UHFFFAOYSA-N
Compound name
5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

34
Patents

270.05197 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.05925 156.4
[M+Na]+ 293.04119 167.9
[M-H]- 269.04469 158.0
[M+NH4]+ 288.08579 170.4
[M+K]+ 309.01513 163.9
[M+H-H2O]+ 253.04923 148.5
[M+HCOO]- 315.05017 168.4
[M+CH3COO]- 329.06582 168.0
[M+Na-2H]- 291.02664 158.6
[M]+ 270.05142 159.6
[M]- 270.05252 159.6
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.