CID 476071

2-[6-(diethylamino)purin-9-yl]ethoxymethylphosphonic acid

Structural Information

Molecular Formula
C12H20N5O4P
SMILES
CCN(CC)C1=NC=NC2=C1N=CN2CCOCP(=O)(O)O
InChI
InChI=1S/C12H20N5O4P/c1-3-16(4-2)11-10-12(14-7-13-11)17(8-15-10)5-6-21-9-22(18,19)20/h7-8H,3-6,9H2,1-2H3,(H2,18,19,20)
InChIKey
MAHNLTSVPOZINJ-UHFFFAOYSA-N
Compound name
2-[6-(diethylamino)purin-9-yl]ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1253 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.13258 176.1
[M+Na]+ 352.11452 183.2
[M-H]- 328.11802 173.4
[M+NH4]+ 347.15912 186.9
[M+K]+ 368.08846 181.6
[M+H-H2O]+ 312.12256 164.8
[M+HCOO]- 374.12350 198.9
[M+CH3COO]- 388.13915 209.0
[M+Na-2H]- 350.09997 178.9
[M]+ 329.12475 182.4
[M]- 329.12585 182.4
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.