CID 451910

Carbocyclic-2',3'-oh-4'-ch2oh ara-adenosine

Structural Information

Molecular Formula
C12H17N5O3
SMILES
C1[C@@H]([C@H]([C@@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)O)O)CCO
InChI
InChI=1S/C12H17N5O3/c13-11-8-12(15-4-14-11)17(5-16-8)7-3-6(1-2-18)9(19)10(7)20/h4-7,9-10,18-20H,1-3H2,(H2,13,14,15)/t6-,7+,9+,10+/m0/s1
InChIKey
CEIKVFVUUZTZPJ-MVHNUAHISA-N
Compound name
(1R,2R,3R,5R)-3-(6-aminopurin-9-yl)-5-(2-hydroxyethyl)cyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

279.13315 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14043 162.4
[M+Na]+ 302.12237 171.9
[M-H]- 278.12587 162.3
[M+NH4]+ 297.16697 175.7
[M+K]+ 318.09631 167.0
[M+H-H2O]+ 262.13041 154.5
[M+HCOO]- 324.13135 178.6
[M+CH3COO]- 338.14700 172.5
[M+Na-2H]- 300.10782 162.9
[M]+ 279.13260 161.2
[M]- 279.13370 161.2
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.