CID 512307

Chembl113025

Structural Information

Molecular Formula
C13H21N6O5P
SMILES
C1COCCN1CC(CN2C=NC3=C(N=CN=C32)N)OCP(=O)(O)O
InChI
InChI=1S/C13H21N6O5P/c14-12-11-13(16-7-15-12)19(8-17-11)6-10(24-9-25(20,21)22)5-18-1-3-23-4-2-18/h7-8,10H,1-6,9H2,(H2,14,15,16)(H2,20,21,22)
InChIKey
MDFCXHKQKWMCCK-UHFFFAOYSA-N
Compound name
[1-(6-aminopurin-9-yl)-3-morpholin-4-ylpropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.1311 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.13838 184.0
[M+Na]+ 395.12032 188.1
[M-H]- 371.12382 181.3
[M+NH4]+ 390.16492 188.4
[M+K]+ 411.09426 186.6
[M+H-H2O]+ 355.12836 171.3
[M+HCOO]- 417.12930 199.1
[M+CH3COO]- 431.14495 212.1
[M+Na-2H]- 393.10577 184.8
[M]+ 372.13055 183.2
[M]- 372.13165 183.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.