CID 135446916

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

Structural Information

Molecular Formula
C15H23N5O2
SMILES
C[C@H]([C@@H]1C[C@@H](C1(C)C)CCN2C=NC3=C2N=C(NC3=O)N)O
InChI
InChI=1S/C15H23N5O2/c1-8(21)10-6-9(15(10,2)3)4-5-20-7-17-11-12(20)18-14(16)19-13(11)22/h7-10,21H,4-6H2,1-3H3,(H3,16,18,19,22)/t8-,9+,10+/m1/s1
InChIKey
JSACUOMOUBPNGI-UTLUCORTSA-N
Compound name
2-amino-9-[2-[(1R,3R)-3-[(1R)-1-hydroxyethyl]-2,2-dimethylcyclobutyl]ethyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.18518 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.19246 179.7
[M+Na]+ 328.17440 187.9
[M-H]- 304.17790 180.0
[M+NH4]+ 323.21900 186.5
[M+K]+ 344.14834 185.7
[M+H-H2O]+ 288.18244 166.2
[M+HCOO]- 350.18338 193.8
[M+CH3COO]- 364.19903 207.8
[M+Na-2H]- 326.15985 179.7
[M]+ 305.18463 188.6
[M]- 305.18573 188.6
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.