CID 11395157

5-bromo-1-[2-(4-chlorophenoxy)ethoxymethyl]-6-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C14H14BrClN2O4
SMILES
CC1=C(C(=O)NC(=O)N1COCCOC2=CC=C(C=C2)Cl)Br
InChI
InChI=1S/C14H14BrClN2O4/c1-9-12(15)13(19)17-14(20)18(9)8-21-6-7-22-11-4-2-10(16)3-5-11/h2-5H,6-8H2,1H3,(H,17,19,20)
InChIKey
YKNPCDIXVTZFLW-UHFFFAOYSA-N
Compound name
5-bromo-1-[2-(4-chlorophenoxy)ethoxymethyl]-6-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.98254 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.98982 169.5
[M+Na]+ 410.97176 183.5
[M-H]- 386.97526 175.6
[M+NH4]+ 406.01636 183.2
[M+K]+ 426.94570 169.7
[M+H-H2O]+ 370.97980 167.7
[M+HCOO]- 432.98074 183.9
[M+CH3COO]- 446.99639 209.9
[M+Na-2H]- 408.95721 174.6
[M]+ 387.98199 194.1
[M]- 387.98309 194.1
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.