CID 135480679

9-((2-hydroxyethoxy)methyl)-8-n-piperidinylguanine

Structural Information

Molecular Formula
C13H20N6O3
SMILES
C1CCN(CC1)C2=NC3=C(N2COCCO)N=C(NC3=O)N
InChI
InChI=1S/C13H20N6O3/c14-12-16-10-9(11(21)17-12)15-13(18-4-2-1-3-5-18)19(10)8-22-7-6-20/h20H,1-8H2,(H3,14,16,17,21)
InChIKey
SWTVTJOCSVHVDU-UHFFFAOYSA-N
Compound name
2-amino-9-(2-hydroxyethoxymethyl)-8-piperidin-1-yl-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.1597 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.16698 171.3
[M+Na]+ 331.14892 179.4
[M-H]- 307.15242 169.7
[M+NH4]+ 326.19352 180.3
[M+K]+ 347.12286 173.6
[M+H-H2O]+ 291.15696 161.1
[M+HCOO]- 353.15790 185.0
[M+CH3COO]- 367.17355 179.6
[M+Na-2H]- 329.13437 173.9
[M]+ 308.15915 169.2
[M]- 308.16025 169.2
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.