CID 476077

2-[2-amino-6-[ethyl(methyl)amino]purin-9-yl]ethoxymethylphosphonic acid

Structural Information

Molecular Formula
C11H19N6O4P
SMILES
CCN(C)C1=NC(=NC2=C1N=CN2CCOCP(=O)(O)O)N
InChI
InChI=1S/C11H19N6O4P/c1-3-16(2)9-8-10(15-11(12)14-9)17(6-13-8)4-5-21-7-22(18,19)20/h6H,3-5,7H2,1-2H3,(H2,12,14,15)(H2,18,19,20)
InChIKey
BWXLZYUEYRSBJD-UHFFFAOYSA-N
Compound name
2-[2-amino-6-[ethyl(methyl)amino]purin-9-yl]ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.12054 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12782 174.8
[M+Na]+ 353.10976 182.2
[M-H]- 329.11326 172.3
[M+NH4]+ 348.15436 185.2
[M+K]+ 369.08370 180.7
[M+H-H2O]+ 313.11780 163.7
[M+HCOO]- 375.11874 198.3
[M+CH3COO]- 389.13439 212.2
[M+Na-2H]- 351.09521 177.3
[M]+ 330.11999 179.4
[M]- 330.12109 179.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.