CID 135442257

9-[[(1s,3r)-3-[(1s)-1-hydroxyethyl]-2,2-dimethyl-cyclobutyl]methyl]-1h-purin-6-one

Structural Information

Molecular Formula
C14H20N4O2
SMILES
C[C@@H]([C@@H]1C[C@@H](C1(C)C)CN2C=NC3=C2N=CNC3=O)O
InChI
InChI=1S/C14H20N4O2/c1-8(19)10-4-9(14(10,2)3)5-18-7-17-11-12(18)15-6-16-13(11)20/h6-10,19H,4-5H2,1-3H3,(H,15,16,20)/t8-,9+,10-/m0/s1
InChIKey
ALEIKMXNGKFACI-AEJSXWLSSA-N
Compound name
9-[[(1S,3R)-3-[(1S)-1-hydroxyethyl]-2,2-dimethylcyclobutyl]methyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.15863 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16591 168.1
[M+Na]+ 299.14785 177.1
[M-H]- 275.15135 168.7
[M+NH4]+ 294.19245 176.4
[M+K]+ 315.12179 175.1
[M+H-H2O]+ 259.15589 155.2
[M+HCOO]- 321.15683 182.3
[M+CH3COO]- 335.17248 199.2
[M+Na-2H]- 297.13330 169.9
[M]+ 276.15808 178.0
[M]- 276.15918 178.0
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.