CID 5195053

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

Structural Information

Molecular Formula
C14H15BrN2O4
SMILES
CC1=CC=C(C=C1)OCCOCN2C=C(C(=O)NC2=O)Br
InChI
InChI=1S/C14H15BrN2O4/c1-10-2-4-11(5-3-10)21-7-6-20-9-17-8-12(15)13(18)16-14(17)19/h2-5,8H,6-7,9H2,1H3,(H,16,18,19)
InChIKey
RJAHLSXSRQXGGI-UHFFFAOYSA-N
Compound name
5-bromo-1-[2-(4-methylphenoxy)ethoxymethyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.0215 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.02878 166.1
[M+Na]+ 377.01072 178.3
[M-H]- 353.01422 171.9
[M+NH4]+ 372.05532 179.9
[M+K]+ 392.98466 166.1
[M+H-H2O]+ 337.01876 163.5
[M+HCOO]- 399.01970 184.9
[M+CH3COO]- 413.03535 205.3
[M+Na-2H]- 374.99617 172.0
[M]+ 354.02095 188.4
[M]- 354.02205 188.4
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

No patent data available for this compound.