CID 6320408

2-(6-amino-2-hydroxy-pyrimidin-4-yl)oxyethoxymethylphosphonic acid

Structural Information

Molecular Formula
C7H12N3O6P
SMILES
C1=C(NC(=O)N=C1OCCOCP(=O)(O)O)N
InChI
InChI=1S/C7H12N3O6P/c8-5-3-6(10-7(11)9-5)16-2-1-15-4-17(12,13)14/h3H,1-2,4H2,(H2,12,13,14)(H3,8,9,10,11)
InChIKey
GRCWGRPYPAXBOO-UHFFFAOYSA-N
Compound name
2-[(6-amino-2-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.0464 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.05368 154.9
[M+Na]+ 288.03562 161.9
[M-H]- 264.03912 150.6
[M+NH4]+ 283.08022 166.4
[M+K]+ 304.00956 160.0
[M+H-H2O]+ 248.04366 145.3
[M+HCOO]- 310.04460 178.1
[M+CH3COO]- 324.06025 189.0
[M+Na-2H]- 286.02107 158.0
[M]+ 265.04585 155.9
[M]- 265.04695 155.9
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.