CID 490275

(1s)-1-[(1r,3r)-3-[2-(6-aminopurin-9-yl)ethyl]-2,2-dimethyl-cyclobutyl]ethanol

Structural Information

Molecular Formula
C15H23N5O
SMILES
C[C@@H]([C@@H]1C[C@@H](C1(C)C)CCN2C=NC3=C(N=CN=C32)N)O
InChI
InChI=1S/C15H23N5O/c1-9(21)11-6-10(15(11,2)3)4-5-20-8-19-12-13(16)17-7-18-14(12)20/h7-11,21H,4-6H2,1-3H3,(H2,16,17,18)/t9-,10-,11-/m0/s1
InChIKey
KISXSZSSTFNJNB-DCAQKATOSA-N
Compound name
(1S)-1-[(1R,3R)-3-[2-(6-aminopurin-9-yl)ethyl]-2,2-dimethylcyclobutyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.19025 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.19753 175.1
[M+Na]+ 312.17947 183.1
[M-H]- 288.18297 176.4
[M+NH4]+ 307.22407 183.1
[M+K]+ 328.15341 181.4
[M+H-H2O]+ 272.18751 161.2
[M+HCOO]- 334.18845 190.5
[M+CH3COO]- 348.20410 207.2
[M+Na-2H]- 310.16492 176.3
[M]+ 289.18970 184.8
[M]- 289.19080 184.8
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.