CID 512305

Chembl112137

Structural Information

Molecular Formula
C11H19N6O4P
SMILES
CN(C)CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O
InChI
InChI=1S/C11H19N6O4P/c1-16(2)3-8(21-7-22(18,19)20)4-17-6-15-9-10(12)13-5-14-11(9)17/h5-6,8H,3-4,7H2,1-2H3,(H2,12,13,14)(H2,18,19,20)
InChIKey
YLEYZLIGAVKNLJ-UHFFFAOYSA-N
Compound name
[1-(6-aminopurin-9-yl)-3-(dimethylamino)propan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.12054 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12782 173.8
[M+Na]+ 353.10976 180.1
[M-H]- 329.11326 171.1
[M+NH4]+ 348.15436 183.9
[M+K]+ 369.08370 179.1
[M+H-H2O]+ 313.11780 162.7
[M+HCOO]- 375.11874 196.4
[M+CH3COO]- 389.13439 211.8
[M+Na-2H]- 351.09521 176.0
[M]+ 330.11999 177.4
[M]- 330.12109 177.5
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.