CID 455703

8-aza-pmea

Structural Information

Molecular Formula
C7H11N6O4P
SMILES
C1=NC(=C2C(=N1)N(N=N2)CCOCP(=O)(O)O)N
InChI
InChI=1S/C7H11N6O4P/c8-6-5-7(10-3-9-6)13(12-11-5)1-2-17-4-18(14,15)16/h3H,1-2,4H2,(H2,8,9,10)(H2,14,15,16)
InChIKey
USAFPAKQALDTRN-UHFFFAOYSA-N
Compound name
2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

274.05795 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.06523 159.0
[M+Na]+ 297.04717 168.1
[M-H]- 273.05067 153.9
[M+NH4]+ 292.09177 169.7
[M+K]+ 313.02111 165.6
[M+H-H2O]+ 257.05521 148.1
[M+HCOO]- 319.05615 180.8
[M+CH3COO]- 333.07180 193.8
[M+Na-2H]- 295.03262 163.7
[M]+ 274.05740 161.6
[M]- 274.05850 161.6
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.