CID 493047

Chembl58985

Structural Information

Molecular Formula
C8H14N3O5P
SMILES
CC1=CC(=NC(=N1)N)OCCOCP(=O)(O)O
InChI
InChI=1S/C8H14N3O5P/c1-6-4-7(11-8(9)10-6)16-3-2-15-5-17(12,13)14/h4H,2-3,5H2,1H3,(H2,9,10,11)(H2,12,13,14)
InChIKey
IFNWBSHJRYDCEM-UHFFFAOYSA-N
Compound name
2-(2-amino-6-methylpyrimidin-4-yl)oxyethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

26
Patents

263.0671 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.07438 157.8
[M+Na]+ 286.05632 164.8
[M-H]- 262.05982 154.8
[M+NH4]+ 281.10092 170.3
[M+K]+ 302.03026 163.5
[M+H-H2O]+ 246.06436 148.1
[M+HCOO]- 308.06530 181.9
[M+CH3COO]- 322.08095 192.7
[M+Na-2H]- 284.04177 160.7
[M]+ 263.06655 160.4
[M]- 263.06765 160.4
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

patents stripe