CID 5271137

Chembl116543

Structural Information

Molecular Formula
C10H14N5O4P
SMILES
C1C[C@@H](O[C@@H]1CN2C=NC3=CN=C(N=C32)N)P(=O)(O)O
InChI
InChI=1S/C10H14N5O4P/c11-10-12-3-7-9(14-10)15(5-13-7)4-6-1-2-8(19-6)20(16,17)18/h3,5-6,8H,1-2,4H2,(H2,11,12,14)(H2,16,17,18)/t6-,8-/m0/s1
InChIKey
VUCRNPKCFAUDMT-XPUUQOCRSA-N
Compound name
[(2S,5S)-5-[(2-aminopurin-9-yl)methyl]oxolan-2-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

299.07834 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08562 164.9
[M+Na]+ 322.06756 172.6
[M-H]- 298.07106 164.9
[M+NH4]+ 317.11216 176.2
[M+K]+ 338.04150 171.0
[M+H-H2O]+ 282.07560 154.6
[M+HCOO]- 344.07654 185.5
[M+CH3COO]- 358.09219 197.9
[M+Na-2H]- 320.05301 165.6
[M]+ 299.07779 164.7
[M]- 299.07889 164.7
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

patents stripe