CID 135502885

Sodium 2-(2-amino-6-oxo-1h-purin-9(6h)-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-ylphosphonate

Structural Information

Molecular Formula
C10H14N5O7P
SMILES
C1=NC2=C(N1C3C(C(C(O3)CO)O)P(=O)(O)O)N=C(NC2=O)N
InChI
InChI=1S/C10H14N5O7P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(23(19,20)21)5(17)3(1-16)22-9/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)
InChIKey
GWIWQYBELWODMD-UHFFFAOYSA-N
Compound name
[2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.06308 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.070356 175.0
[M+Na]+ 370.052298 182.9
[M-H]- 346.055804 172.5
[M+NH4]+ 365.096903 182.6
[M+K]+ 386.026238 180.9
[M+H-H2O]+ 330.060340 166.1
[M+HCOO]- 392.061281 191.5
[M+CH3COO]- 406.076931 203.0
[M+Na-2H]- 368.037746 173.6
[M]+ 347.06253142 174.0
[M]- 347.06362858 174.0
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.