CID 5271795

[1-[(6-amino-2-oxo-4,5-dihydropyrimidin-3-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid

Structural Information

Molecular Formula
C8H16N3O6P
SMILES
C1CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O
InChI
InChI=1S/C8H16N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h6,12H,1-5H2,(H2,9,10,13)(H2,14,15,16)
InChIKey
WSFPMACHDJDBIK-UHFFFAOYSA-N
Compound name
[1-(6-amino-2-oxo-4,5-dihydropyrimidin-3-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.07767 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08495 161.1
[M+Na]+ 304.06689 165.6
[M-H]- 280.07039 156.0
[M+NH4]+ 299.11149 171.8
[M+K]+ 320.04083 164.5
[M+H-H2O]+ 264.07493 151.8
[M+HCOO]- 326.07587 180.3
[M+CH3COO]- 340.09152 193.7
[M+Na-2H]- 302.05234 161.0
[M]+ 281.07712 159.3
[M]- 281.07822 159.3
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.