CID 493226

8-aza-(s)-hpmpa

Structural Information

Molecular Formula
C8H13N6O5P
SMILES
C1=NC(=C2C(=N1)N(N=N2)C[C@@H](CO)OCP(=O)(O)O)N
InChI
InChI=1S/C8H13N6O5P/c9-7-6-8(11-3-10-7)14(13-12-6)1-5(2-15)19-4-20(16,17)18/h3,5,15H,1-2,4H2,(H2,9,10,11)(H2,16,17,18)/t5-/m0/s1
InChIKey
YYJWBUVXKMHIGV-YFKPBYRVSA-N
Compound name
[(2S)-1-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

304.0685 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.07578 165.5
[M+Na]+ 327.05772 173.0
[M-H]- 303.06122 159.2
[M+NH4]+ 322.10232 174.1
[M+K]+ 343.03166 171.0
[M+H-H2O]+ 287.06576 154.8
[M+HCOO]- 349.06670 184.7
[M+CH3COO]- 363.08235 197.8
[M+Na-2H]- 325.04317 168.7
[M]+ 304.06795 167.4
[M]- 304.06905 167.4
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.