CID 135483760

2-(5-amino-7-oxo-6h-triazolo[4,5-d]pyrimidin-3-yl)ethoxymethyl-ethoxy-phosphinic acid

Structural Information

Molecular Formula
C9H15N6O5P
SMILES
CCOP(=O)(COCCN1C2=C(C(=O)NC(=N2)N)N=N1)O
InChI
InChI=1S/C9H15N6O5P/c1-2-20-21(17,18)5-19-4-3-15-7-6(13-14-15)8(16)12-9(10)11-7/h2-5H2,1H3,(H,17,18)(H3,10,11,12,16)
InChIKey
SAHZZUQYGCLMEY-UHFFFAOYSA-N
Compound name
2-(5-amino-7-oxo-6H-triazolo[4,5-d]pyrimidin-3-yl)ethoxymethyl-ethoxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.08417 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.09145 169.9
[M+Na]+ 341.07339 178.9
[M-H]- 317.07689 165.0
[M+NH4]+ 336.11799 178.9
[M+K]+ 357.04733 176.2
[M+H-H2O]+ 301.08143 158.9
[M+HCOO]- 363.08237 191.3
[M+CH3COO]- 377.09802 202.5
[M+Na-2H]- 339.05884 173.2
[M]+ 318.08362 174.3
[M]- 318.08472 174.3
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.