CID 5274105

2-[(2s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]ethylphosphonic acid

Structural Information

Molecular Formula
C10H16N3O5P
SMILES
C1C[C@@H](O[C@@H]1CCP(=O)(O)O)N2C=CC(=NC2=O)N
InChI
InChI=1S/C10H16N3O5P/c11-8-3-5-13(10(14)12-8)9-2-1-7(18-9)4-6-19(15,16)17/h3,5,7,9H,1-2,4,6H2,(H2,11,12,14)(H2,15,16,17)/t7-,9+/m0/s1
InChIKey
CPEXOJVATRQCMA-IONNQARKSA-N
Compound name
2-[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]ethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.08276 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09004 163.5
[M+Na]+ 312.07198 169.8
[M-H]- 288.07548 164.2
[M+NH4]+ 307.11658 175.1
[M+K]+ 328.04592 168.4
[M+H-H2O]+ 272.08002 153.7
[M+HCOO]- 334.08096 185.4
[M+CH3COO]- 348.09661 195.9
[M+Na-2H]- 310.05743 163.8
[M]+ 289.08221 162.3
[M]- 289.08331 162.3
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.