CID 11415237

1-[2-(4-chlorophenoxy)ethoxymethyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C13H13ClN2O4
SMILES
C1=CC(=CC=C1OCCOCN2C=CC(=O)NC2=O)Cl
InChI
InChI=1S/C13H13ClN2O4/c14-10-1-3-11(4-2-10)20-8-7-19-9-16-6-5-12(17)15-13(16)18/h1-6H,7-9H2,(H,15,17,18)
InChIKey
UMWOTWGFVBCIQT-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenoxy)ethoxymethyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.0564 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.06368 160.5
[M+Na]+ 319.04562 170.7
[M-H]- 295.04912 163.5
[M+NH4]+ 314.09022 173.3
[M+K]+ 335.01956 165.3
[M+H-H2O]+ 279.05366 152.0
[M+HCOO]- 341.05460 177.5
[M+CH3COO]- 355.07025 195.9
[M+Na-2H]- 317.03107 166.1
[M]+ 296.05585 165.8
[M]- 296.05695 165.8
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.