CID 135508797

Chembl92671

Structural Information

Molecular Formula
C10H15FN5O5P
SMILES
C1=NC2=C(N1C[C@H](CCF)OCP(=O)(O)O)N=C(NC2=O)N
InChI
InChI=1S/C10H15FN5O5P/c11-2-1-6(21-5-22(18,19)20)3-16-4-13-7-8(16)14-10(12)15-9(7)17/h4,6H,1-3,5H2,(H2,18,19,20)(H3,12,14,15,17)/t6-/m0/s1
InChIKey
XLNPCJWXNGGWEA-LURJTMIESA-N
Compound name
[(2S)-1-(2-amino-6-oxo-1H-purin-9-yl)-4-fluorobutan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.0795 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.08678 172.2
[M+Na]+ 358.06872 180.2
[M-H]- 334.07222 165.9
[M+NH4]+ 353.11332 181.2
[M+K]+ 374.04266 176.8
[M+H-H2O]+ 318.07676 161.2
[M+HCOO]- 380.07770 191.3
[M+CH3COO]- 394.09335 203.8
[M+Na-2H]- 356.05417 173.2
[M]+ 335.07895 173.2
[M]- 335.08005 173.2
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.