CID 15957690

Chembl3250897

Structural Information

Molecular Formula
C13H19N5O3
SMILES
CC(C)(C)C(=O)OCC(CN1C=NC2=C(N=CN=C21)N)O
InChI
InChI=1S/C13H19N5O3/c1-13(2,3)12(20)21-5-8(19)4-18-7-17-9-10(14)15-6-16-11(9)18/h6-8,19H,4-5H2,1-3H3,(H2,14,15,16)
InChIKey
DUOSIUYKYDEAPV-UHFFFAOYSA-N
Compound name
[3-(6-aminopurin-9-yl)-2-hydroxypropyl] 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

293.1488 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.15608 169.9
[M+Na]+ 316.13802 178.3
[M-H]- 292.14152 168.4
[M+NH4]+ 311.18262 181.9
[M+K]+ 332.11196 175.5
[M+H-H2O]+ 276.14606 161.6
[M+HCOO]- 338.14700 186.0
[M+CH3COO]- 352.16265 202.0
[M+Na-2H]- 314.12347 173.9
[M]+ 293.14825 173.1
[M]- 293.14935 173.1
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.