CID 5271925

Chembl51281

Structural Information

Molecular Formula
C9H16N3O6P
SMILES
C1=CN(C(=O)N=C1N)CC[C@@H](CO)OCP(=O)(O)O
InChI
InChI=1S/C9H16N3O6P/c10-8-2-4-12(9(14)11-8)3-1-7(5-13)18-6-19(15,16)17/h2,4,7,13H,1,3,5-6H2,(H2,10,11,14)(H2,15,16,17)/t7-/m0/s1
InChIKey
UZUSWPFGPMFMMQ-ZETCQYMHSA-N
Compound name
[(2S)-4-(4-amino-2-oxopyrimidin-1-yl)-1-hydroxybutan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.07767 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.08495 164.0
[M+Na]+ 316.06689 169.8
[M-H]- 292.07039 159.5
[M+NH4]+ 311.11149 174.3
[M+K]+ 332.04083 168.2
[M+H-H2O]+ 276.07493 154.2
[M+HCOO]- 338.07587 185.6
[M+CH3COO]- 352.09152 195.9
[M+Na-2H]- 314.05234 164.9
[M]+ 293.07712 165.1
[M]- 293.07822 165.1
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.