CID 6320129

[(1s)-2-[6-(2-dimethylaminoethylamino)purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid

Structural Information

Molecular Formula
C13H23N6O4P
SMILES
C[C@@H](CN1C=NC2=C(N=CN=C21)NCCN(C)C)OCP(=O)(O)O
InChI
InChI=1S/C13H23N6O4P/c1-10(23-9-24(20,21)22)6-19-8-17-11-12(14-4-5-18(2)3)15-7-16-13(11)19/h7-8,10H,4-6,9H2,1-3H3,(H,14,15,16)(H2,20,21,22)/t10-/m0/s1
InChIKey
MSSNYTGVUZCIQC-JTQLQIEISA-N
Compound name
[(2S)-1-[6-[2-(dimethylamino)ethylamino]purin-9-yl]propan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.15186 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15914 182.5
[M+Na]+ 381.14108 187.8
[M-H]- 357.14458 180.0
[M+NH4]+ 376.18568 191.7
[M+K]+ 397.11502 186.8
[M+H-H2O]+ 341.14912 170.9
[M+HCOO]- 403.15006 205.1
[M+CH3COO]- 417.16571 218.1
[M+Na-2H]- 379.12653 184.8
[M]+ 358.15131 187.8
[M]- 358.15241 187.8
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.