CID 135446907

[2-(2-amino-6-oxo-1h-purin-9-yl)-1-(2-fluoroethoxy)ethoxy]methylphosphonic acid

Structural Information

Molecular Formula
C10H15FN5O6P
SMILES
C1=NC2=C(N1CC(OCCF)OCP(=O)(O)O)N=C(NC2=O)N
InChI
InChI=1S/C10H15FN5O6P/c11-1-2-21-6(22-5-23(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)
InChIKey
RGXRFRCAGBMABW-UHFFFAOYSA-N
Compound name
[2-(2-amino-6-oxo-1H-purin-9-yl)-1-(2-fluoroethoxy)ethoxy]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.0744 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.08168 173.4
[M+Na]+ 374.06362 181.0
[M-H]- 350.06712 167.0
[M+NH4]+ 369.10822 181.5
[M+K]+ 390.03756 178.4
[M+H-H2O]+ 334.07166 162.1
[M+HCOO]- 396.07260 192.6
[M+CH3COO]- 410.08825 206.1
[M+Na-2H]- 372.04907 174.8
[M]+ 351.07385 175.7
[M]- 351.07495 175.7
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

No patent data available for this compound.