CID 513258

(s)-8-aza-hpmpdap

Structural Information

Molecular Formula
C8H14N7O5P
SMILES
C([C@@H](CO)OCP(=O)(O)O)N1C2=NC(=NC(=C2N=N1)N)N
InChI
InChI=1S/C8H14N7O5P/c9-6-5-7(12-8(10)11-6)15(14-13-5)1-4(2-16)20-3-21(17,18)19/h4,16H,1-3H2,(H2,17,18,19)(H4,9,10,11,12)/t4-/m0/s1
InChIKey
VXDBQGLWQMDPCQ-BYPYZUCNSA-N
Compound name
[(2S)-1-(5,7-diaminotriazolo[4,5-d]pyrimidin-3-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

319.0794 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.08668 168.4
[M+Na]+ 342.06862 175.9
[M-H]- 318.07212 162.3
[M+NH4]+ 337.11322 176.1
[M+K]+ 358.04256 173.8
[M+H-H2O]+ 302.07666 157.9
[M+HCOO]- 364.07760 188.1
[M+CH3COO]- 378.09325 204.3
[M+Na-2H]- 340.05407 170.8
[M]+ 319.07885 169.1
[M]- 319.07995 169.1
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.