CID 11381348

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

Structural Information

Molecular Formula
C14H15ClN2O4
SMILES
CC1=CN(C(=O)NC1=O)COCCOC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H15ClN2O4/c1-10-8-17(14(19)16-13(10)18)9-20-6-7-21-12-4-2-11(15)3-5-12/h2-5,8H,6-7,9H2,1H3,(H,16,18,19)
InChIKey
MHIOBXDOLQIEMC-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenoxy)ethoxymethyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.07202 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.079296 165.1
[M+Na]+ 333.061238 175.8
[M-H]- 309.064744 168.4
[M+NH4]+ 328.105843 177.7
[M+K]+ 349.035178 170.2
[M+H-H2O]+ 293.069280 156.7
[M+HCOO]- 355.070221 181.8
[M+CH3COO]- 369.085871 200.1
[M+Na-2H]- 331.046686 169.5
[M]+ 310.07147142 171.2
[M]- 310.07256858 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.