CID 476070

2-[6-(dimethylamino)purin-9-yl]ethoxymethylphosphonic acid

Structural Information

Molecular Formula
C10H16N5O4P
SMILES
CN(C)C1=NC=NC2=C1N=CN2CCOCP(=O)(O)O
InChI
InChI=1S/C10H16N5O4P/c1-14(2)9-8-10(12-5-11-9)15(6-13-8)3-4-19-7-20(16,17)18/h5-6H,3-4,7H2,1-2H3,(H2,16,17,18)
InChIKey
BENQZFBIVDMYMJ-UHFFFAOYSA-N
Compound name
2-[6-(dimethylamino)purin-9-yl]ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

301.094 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10128 167.0
[M+Na]+ 324.08322 175.0
[M-H]- 300.08672 164.7
[M+NH4]+ 319.12782 178.9
[M+K]+ 340.05716 173.8
[M+H-H2O]+ 284.09126 156.1
[M+HCOO]- 346.09220 190.5
[M+CH3COO]- 360.10785 203.2
[M+Na-2H]- 322.06867 170.8
[M]+ 301.09345 172.6
[M]- 301.09455 172.6
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.