CID 3011011

Schembl9417185

Structural Information

Molecular Formula
C9H14N5O6P
SMILES
COC1=NC(=NC2=C1N=CN2OCCOCP(=O)(O)O)N
InChI
InChI=1S/C9H14N5O6P/c1-18-8-6-7(12-9(10)13-8)14(4-11-6)20-3-2-19-5-21(15,16)17/h4H,2-3,5H2,1H3,(H2,10,12,13)(H2,15,16,17)
InChIKey
HXLPOCMRJXWWDY-UHFFFAOYSA-N
Compound name
2-(2-amino-6-methoxypurin-9-yl)oxyethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

319.06818 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.07546 167.1
[M+Na]+ 342.05740 175.6
[M-H]- 318.06090 163.4
[M+NH4]+ 337.10200 177.3
[M+K]+ 358.03134 174.4
[M+H-H2O]+ 302.06544 156.4
[M+HCOO]- 364.06638 190.0
[M+CH3COO]- 378.08203 202.5
[M+Na-2H]- 340.04285 171.0
[M]+ 319.06763 173.2
[M]- 319.06873 173.2
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

patents stripe