CID 493054

Chembl504793

Structural Information

Molecular Formula
C7H12N3O6P
SMILES
C1=C(N=C(NC1=O)N)OCCOCP(=O)(O)O
InChI
InChI=1S/C7H12N3O6P/c8-7-9-5(11)3-6(10-7)16-2-1-15-4-17(12,13)14/h3H,1-2,4H2,(H2,12,13,14)(H3,8,9,10,11)
InChIKey
WRWQXKIMQGCLEI-UHFFFAOYSA-N
Compound name
2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

26
Patents

265.0464 Da
Monoisotopic Mass

-3.0
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

patents stripe