CID 6320128

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

Structural Information

Molecular Formula
C11H18N5O4P
SMILES
C[C@H](CN1C=NC2=C1C(=NC=N2)N(C)C)OCP(=O)(O)O
InChI
InChI=1S/C11H18N5O4P/c1-8(20-7-21(17,18)19)4-16-6-14-10-9(16)11(15(2)3)13-5-12-10/h5-6,8H,4,7H2,1-3H3,(H2,17,18,19)/t8-/m1/s1
InChIKey
XJFVUGNWJZIGJV-MRVPVSSYSA-N
Compound name
[(2R)-1-[6-(dimethylamino)purin-7-yl]propan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.10965 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11693 171.4
[M+Na]+ 338.09887 178.7
[M-H]- 314.10237 169.1
[M+NH4]+ 333.14347 182.7
[M+K]+ 354.07281 177.9
[M+H-H2O]+ 298.10691 160.5
[M+HCOO]- 360.10785 193.6
[M+CH3COO]- 374.12350 207.0
[M+Na-2H]- 336.08432 173.7
[M]+ 315.10910 176.8
[M]- 315.11020 176.8
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.