CID 471292

[2-(4-amino-2-oxo-pyrimidin-1-yl)ethoxy-fluoro-methyl]-ethoxy-phosphinic acid

Structural Information

Molecular Formula
C9H15FN3O5P
SMILES
CCOP(=O)(C(OCCN1C=CC(=NC1=O)N)F)O
InChI
InChI=1S/C9H15FN3O5P/c1-2-18-19(15,16)8(10)17-6-5-13-4-3-7(11)12-9(13)14/h3-4,8H,2,5-6H2,1H3,(H,15,16)(H2,11,12,14)
InChIKey
RAJKEPGAXAYGMI-UHFFFAOYSA-N
Compound name
[2-(4-amino-2-oxopyrimidin-1-yl)ethoxy-fluoromethyl]-ethoxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.07333 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.08061 162.7
[M+Na]+ 318.06255 169.8
[M-H]- 294.06605 159.7
[M+NH4]+ 313.10715 174.6
[M+K]+ 334.03649 168.6
[M+H-H2O]+ 278.07059 151.8
[M+HCOO]- 340.07153 186.2
[M+CH3COO]- 354.08718 200.7
[M+Na-2H]- 316.04800 164.0
[M]+ 295.07278 165.2
[M]- 295.07388 165.2
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.