CID 513627

[(1s)-1-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid

Structural Information

Molecular Formula
C9H14N5O5P
SMILES
C1=NN(C2=NC=NC(=C21)N)C[C@@H](CO)OCP(=O)(O)O
InChI
InChI=1S/C9H14N5O5P/c10-8-7-1-13-14(9(7)12-4-11-8)2-6(3-15)19-5-20(16,17)18/h1,4,6,15H,2-3,5H2,(H2,10,11,12)(H2,16,17,18)/t6-/m0/s1
InChIKey
NCZJUOYHRWPTSX-LURJTMIESA-N
Compound name
[(2S)-1-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.07324 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.08052 165.6
[M+Na]+ 326.06246 172.9
[M-H]- 302.06596 160.4
[M+NH4]+ 321.10706 175.7
[M+K]+ 342.03640 170.8
[M+H-H2O]+ 286.07050 155.3
[M+HCOO]- 348.07144 186.0
[M+CH3COO]- 362.08709 197.6
[M+Na-2H]- 324.04791 168.4
[M]+ 303.07269 167.6
[M]- 303.07379 167.6
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.