CID 5272823

[(1r)-2-[2-amino-6-(dimethylamino)purin-7-yl]-1-methyl-ethoxy]methylphosphonic acid

Structural Information

Molecular Formula
C11H19N6O4P
SMILES
C[C@H](CN1C=NC2=C1C(=NC(=N2)N)N(C)C)OCP(=O)(O)O
InChI
InChI=1S/C11H19N6O4P/c1-7(21-6-22(18,19)20)4-17-5-13-9-8(17)10(16(2)3)15-11(12)14-9/h5,7H,4,6H2,1-3H3,(H2,12,14,15)(H2,18,19,20)/t7-/m1/s1
InChIKey
ONXMQJBWGJPTBS-SSDOTTSWSA-N
Compound name
[(2R)-1-[2-amino-6-(dimethylamino)purin-7-yl]propan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.12054 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12782 174.9
[M+Na]+ 353.10976 182.1
[M-H]- 329.11326 172.6
[M+NH4]+ 348.15436 185.3
[M+K]+ 369.08370 181.1
[M+H-H2O]+ 313.11780 164.1
[M+HCOO]- 375.11874 197.5
[M+CH3COO]- 389.13439 213.1
[M+Na-2H]- 351.09521 176.3
[M]+ 330.11999 179.0
[M]- 330.12109 179.0
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.