CID 16110734

Chembl273667

Structural Information

Molecular Formula
C6H11N4O5P
SMILES
C1=NC(=NC(=O)N1CCOCP(=O)(O)O)N
InChI
InChI=1S/C6H11N4O5P/c7-5-8-3-10(6(11)9-5)1-2-15-4-16(12,13)14/h3H,1-2,4H2,(H2,7,9,11)(H2,12,13,14)
InChIKey
GGEDTHSIECUXIP-UHFFFAOYSA-N
Compound name
2-(4-amino-2-oxo-1,3,5-triazin-1-yl)ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.0467 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.05398 152.5
[M+Na]+ 273.03592 160.5
[M-H]- 249.03942 148.4
[M+NH4]+ 268.08052 164.1
[M+K]+ 289.00986 158.8
[M+H-H2O]+ 233.04396 142.4
[M+HCOO]- 295.04490 176.0
[M+CH3COO]- 309.06055 188.8
[M+Na-2H]- 271.02137 156.3
[M]+ 250.04615 154.0
[M]- 250.04725 154.0
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.