CID 3010793

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

Structural Information

Molecular Formula
C15H24N6O
SMILES
C[C@H]([C@@H]1C[C@@H](C1(C)C)CCN2C=NC3=C(N=C(N=C32)N)N)O
InChI
InChI=1S/C15H24N6O/c1-8(22)10-6-9(15(10,2)3)4-5-21-7-18-11-12(16)19-14(17)20-13(11)21/h7-10,22H,4-6H2,1-3H3,(H4,16,17,19,20)/t8-,9+,10+/m1/s1
InChIKey
HBAXZWMJXAJBDE-UTLUCORTSA-N
Compound name
(1R)-1-[(1R,3R)-3-[2-(2,6-diaminopurin-9-yl)ethyl]-2,2-dimethylcyclobutyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.20117 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.20845 181.9
[M+Na]+ 327.19039 189.6
[M-H]- 303.19389 183.1
[M+NH4]+ 322.23499 188.9
[M+K]+ 343.16433 187.9
[M+H-H2O]+ 287.19843 167.7
[M+HCOO]- 349.19937 197.5
[M+CH3COO]- 363.21502 213.1
[M+Na-2H]- 325.17584 181.8
[M]+ 304.20062 190.3
[M]- 304.20172 190.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.