CID 5271680

2-[2-amino-1-(1-piperidyl)-2h-purin-9-yl]ethoxymethylphosphonic acid

Structural Information

Molecular Formula
C13H23N6O4P
SMILES
C1CCN(CC1)N2C=C3C(=NC2N)N(C=N3)CCOCP(=O)(O)O
InChI
InChI=1S/C13H23N6O4P/c14-13-16-12-11(8-19(13)18-4-2-1-3-5-18)15-9-17(12)6-7-23-10-24(20,21)22/h8-9,13H,1-7,10,14H2,(H2,20,21,22)
InChIKey
PEHQIXQNFMONGB-UHFFFAOYSA-N
Compound name
2-(2-amino-1-piperidin-1-yl-2H-purin-9-yl)ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.15186 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15914 182.8
[M+Na]+ 381.14108 187.2
[M-H]- 357.14458 179.3
[M+NH4]+ 376.18568 189.4
[M+K]+ 397.11502 183.9
[M+H-H2O]+ 341.14912 170.3
[M+HCOO]- 403.15006 198.2
[M+CH3COO]- 417.16571 210.4
[M+Na-2H]- 379.12653 182.5
[M]+ 358.15131 179.8
[M]- 358.15241 179.8
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.