CID 135524655

2-[(2s,5r)-5-(6-oxo-1h-purin-9-yl)tetrahydrofuran-2-yl]ethylphosphonic acid

Structural Information

Molecular Formula
C11H15N4O5P
SMILES
C1C[C@@H](O[C@@H]1CCP(=O)(O)O)N2C=NC3=C2N=CNC3=O
InChI
InChI=1S/C11H15N4O5P/c16-11-9-10(12-5-13-11)15(6-14-9)8-2-1-7(20-8)3-4-21(17,18)19/h5-8H,1-4H2,(H,12,13,16)(H2,17,18,19)/t7-,8+/m0/s1
InChIKey
BLDWACNBQGYENH-JGVFFNPUSA-N
Compound name
2-[(2S,5R)-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]ethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.078 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08528 168.8
[M+Na]+ 337.06722 176.6
[M-H]- 313.07072 167.9
[M+NH4]+ 332.11182 179.2
[M+K]+ 353.04116 174.4
[M+H-H2O]+ 297.07526 158.9
[M+HCOO]- 359.07620 187.5
[M+CH3COO]- 373.09185 195.5
[M+Na-2H]- 335.05267 169.0
[M]+ 314.07745 169.4
[M]- 314.07855 169.4
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.