CID 477417

(2r,5r)-1-[2,5-dihydro-5-(phosphonomethoxy)-2-furanyl]-5-ethyluracil

Structural Information

Molecular Formula
C11H15N2O7P
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)OCP(=O)(O)O
InChI
InChI=1S/C11H15N2O7P/c1-2-7-5-13(11(15)12-10(7)14)8-3-4-9(20-8)19-6-21(16,17)18/h3-5,8-9H,2,6H2,1H3,(H,12,14,15)(H2,16,17,18)/t8-,9+/m1/s1
InChIKey
LPBONYFZKOFRJQ-BDAKNGLRSA-N
Compound name
[(2R,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.06168 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.06896 166.9
[M+Na]+ 341.05090 174.8
[M-H]- 317.05440 167.4
[M+NH4]+ 336.09550 177.3
[M+K]+ 357.02484 173.4
[M+H-H2O]+ 301.05894 157.4
[M+HCOO]- 363.05988 188.4
[M+CH3COO]- 377.07553 196.8
[M+Na-2H]- 339.03635 167.4
[M]+ 318.06113 169.8
[M]- 318.06223 169.8
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.