CID 471117

[2-(6-aminopurin-9-yl)ethoxy-fluoro-methyl]-ethoxy-phosphinic acid

Structural Information

Molecular Formula
C10H15FN5O4P
SMILES
CCOP(=O)(C(OCCN1C=NC2=C(N=CN=C21)N)F)O
InChI
InChI=1S/C10H15FN5O4P/c1-2-20-21(17,18)10(11)19-4-3-16-6-15-7-8(12)13-5-14-9(7)16/h5-6,10H,2-4H2,1H3,(H,17,18)(H2,12,13,14)
InChIKey
IIHWYXCOAIEOOA-UHFFFAOYSA-N
Compound name
[2-(6-aminopurin-9-yl)ethoxy-fluoromethyl]-ethoxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.08456 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.09184 169.1
[M+Na]+ 342.07378 177.2
[M-H]- 318.07728 165.0
[M+NH4]+ 337.11838 180.0
[M+K]+ 358.04772 175.2
[M+H-H2O]+ 302.08182 157.3
[M+HCOO]- 364.08276 191.0
[M+CH3COO]- 378.09841 205.3
[M+Na-2H]- 340.05923 171.5
[M]+ 319.08401 172.8
[M]- 319.08511 172.8
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.