CID 5496275

Chembl131717

Structural Information

Molecular Formula
C8H14N7O4P
SMILES
C[C@H](CN1N=C2C(=NC(=NC2=N1)N)N)OCP(=O)(O)O
InChI
InChI=1S/C8H14N7O4P/c1-4(19-3-20(16,17)18)2-15-13-5-6(9)11-8(10)12-7(5)14-15/h4H,2-3H2,1H3,(H2,16,17,18)(H4,9,10,11,12,14)/t4-/m1/s1
InChIKey
MYPCPHHUINMGNK-SCSAIBSYSA-N
Compound name
[(2R)-1-(5,7-diaminotriazolo[4,5-d]pyrimidin-2-yl)propan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.0845 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.09178 166.8
[M+Na]+ 326.07372 175.0
[M-H]- 302.07722 161.9
[M+NH4]+ 321.11832 176.0
[M+K]+ 342.04766 172.9
[M+H-H2O]+ 286.08176 156.1
[M+HCOO]- 348.08270 187.8
[M+CH3COO]- 362.09835 203.9
[M+Na-2H]- 324.05917 169.2
[M]+ 303.08395 167.9
[M]- 303.08505 167.9
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.