CID 135459729

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

Structural Information

Molecular Formula
C15H22N4O2
SMILES
C[C@@H]([C@@H]1C[C@@H](C1(C)C)CCN2C=NC3=C2N=CNC3=O)O
InChI
InChI=1S/C15H22N4O2/c1-9(20)11-6-10(15(11,2)3)4-5-19-8-18-12-13(19)16-7-17-14(12)21/h7-11,20H,4-6H2,1-3H3,(H,16,17,21)/t9-,10-,11-/m0/s1
InChIKey
FBNAWXIKOVVGOQ-DCAQKATOSA-N
Compound name
9-[2-[(1R,3R)-3-[(1S)-1-hydroxyethyl]-2,2-dimethylcyclobutyl]ethyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.1743 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18158 172.5
[M+Na]+ 313.16352 181.1
[M-H]- 289.16702 173.0
[M+NH4]+ 308.20812 180.3
[M+K]+ 329.13746 178.9
[M+H-H2O]+ 273.17156 159.4
[M+HCOO]- 335.17250 186.4
[M+CH3COO]- 349.18815 202.0
[M+Na-2H]- 311.14897 173.9
[M]+ 290.17375 182.8
[M]- 290.17485 182.8
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.