CID 493043

Chembl291331

Structural Information

Molecular Formula
C7H12N3O5P
SMILES
C1=C(N=CN=C1OCCOCP(=O)(O)O)N
InChI
InChI=1S/C7H12N3O5P/c8-6-3-7(10-4-9-6)15-2-1-14-5-16(11,12)13/h3-4H,1-2,5H2,(H2,8,9,10)(H2,11,12,13)
InChIKey
HTRRNBWGICFRQM-UHFFFAOYSA-N
Compound name
2-(6-aminopyrimidin-4-yl)oxyethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

25
Patents

249.05145 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.05873 152.8
[M+Na]+ 272.04067 159.4
[M-H]- 248.04417 149.5
[M+NH4]+ 267.08527 165.6
[M+K]+ 288.01461 158.2
[M+H-H2O]+ 232.04871 143.0
[M+HCOO]- 294.04965 177.3
[M+CH3COO]- 308.06530 188.4
[M+Na-2H]- 270.02612 156.9
[M]+ 249.05090 154.7
[M]- 249.05200 154.7
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