CID 135502885

308134-31-8

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]+ 348.07036 173.5
[M+Na]+ 370.05230 179.8
[M+NH4]+ 365.09690 174.1
[M+K]+ 386.02624 185.8
[M-H]- 346.05580 170.2
[M+Na-2H]- 368.03775 171.3
[M]+ 347.06253 172.5
[M]- 347.06363 172.5
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.