CID 135462280

Ethyl ammonium[2-(guanin-9-yl)ethoxy]fluoromethylphosphonate

Structural Information

Molecular Formula
C10H15FN5O5P
SMILES
CCOP(=O)(C(OCCN1C=NC2=C1N=C(NC2=O)N)F)O
InChI
InChI=1S/C10H15FN5O5P/c1-2-21-22(18,19)9(11)20-4-3-16-5-13-6-7(16)14-10(12)15-8(6)17/h5,9H,2-4H2,1H3,(H,18,19)(H3,12,14,15,17)
InChIKey
RJKNGVDREUBMHR-UHFFFAOYSA-N
Compound name
[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxy-fluoromethyl]-ethoxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.0795 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.08678 171.6
[M+Na]+ 358.06872 180.0
[M-H]- 334.07222 166.5
[M+NH4]+ 353.11332 181.2
[M+K]+ 374.04266 177.4
[M+H-H2O]+ 318.07676 160.2
[M+HCOO]- 380.07770 192.2
[M+CH3COO]- 394.09335 205.9
[M+Na-2H]- 356.05417 173.1
[M]+ 335.07895 174.4
[M]- 335.08005 174.4
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.