CID 5496273

Chembl340976

Structural Information

Molecular Formula
C8H13N6O4P
SMILES
C[C@H](CN1C2=NC=NC(=C2N=N1)N)OCP(=O)(O)O
InChI
InChI=1S/C8H13N6O4P/c1-5(18-4-19(15,16)17)2-14-8-6(12-13-14)7(9)10-3-11-8/h3,5H,2,4H2,1H3,(H2,9,10,11)(H2,15,16,17)/t5-/m1/s1
InChIKey
XOOBOMUYIQSTCZ-RXMQYKEDSA-N
Compound name
[(2R)-1-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)propan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

288.07358 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08086 163.5
[M+Na]+ 311.06280 171.9
[M-H]- 287.06630 158.5
[M+NH4]+ 306.10740 173.6
[M+K]+ 327.03674 169.8
[M+H-H2O]+ 271.07084 152.7
[M+HCOO]- 333.07178 184.1
[M+CH3COO]- 347.08743 197.6
[M+Na-2H]- 309.04825 166.7
[M]+ 288.07303 166.0
[M]- 288.07413 166.0
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.