CID 11463014

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

Structural Information

Molecular Formula
C13H12BrClN2O4
SMILES
C1=CC(=CC=C1OCCOCN2C=C(C(=O)NC2=O)Br)Cl
InChI
InChI=1S/C13H12BrClN2O4/c14-11-7-17(13(19)16-12(11)18)8-20-5-6-21-10-3-1-9(15)2-4-10/h1-4,7H,5-6,8H2,(H,16,18,19)
InChIKey
YJQYZIJJFPSJJA-UHFFFAOYSA-N
Compound name
5-bromo-1-[2-(4-chlorophenoxy)ethoxymethyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.9669 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.97418 165.1
[M+Na]+ 396.95612 178.6
[M-H]- 372.95962 170.9
[M+NH4]+ 392.00072 179.0
[M+K]+ 412.93006 165.1
[M+H-H2O]+ 356.96416 163.4
[M+HCOO]- 418.96510 179.9
[M+CH3COO]- 432.98075 205.9
[M+Na-2H]- 394.94157 171.3
[M]+ 373.96635 189.0
[M]- 373.96745 189.0
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.