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

literature stripe

Patent stripe

patents stripe