CID 455704

2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)ethoxymethyl-ethoxy-phosphinic acid

Structural Information

Molecular Formula
C9H15N6O4P
SMILES
CCOP(=O)(COCCN1C2=NC=NC(=C2N=N1)N)O
InChI
InChI=1S/C9H15N6O4P/c1-2-19-20(16,17)6-18-4-3-15-9-7(13-14-15)8(10)11-5-12-9/h5H,2-4,6H2,1H3,(H,16,17)(H2,10,11,12)
InChIKey
LREPDPXFYCQUDJ-UHFFFAOYSA-N
Compound name
2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)ethoxymethyl-ethoxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.08923 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09651 167.1
[M+Na]+ 325.07845 175.7
[M-H]- 301.08195 163.0
[M+NH4]+ 320.12305 177.3
[M+K]+ 341.05239 173.6
[M+H-H2O]+ 285.08649 155.5
[M+HCOO]- 347.08743 189.7
[M+CH3COO]- 361.10308 201.9
[M+Na-2H]- 323.06390 171.3
[M]+ 302.08868 172.2
[M]- 302.08978 172.2
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.