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]+ 311.07930 165.1
[M+Na]+ 333.06124 175.8
[M-H]- 309.06474 168.4
[M+NH4]+ 328.10584 177.7
[M+K]+ 349.03518 170.2
[M+H-H2O]+ 293.06928 156.7
[M+HCOO]- 355.07022 181.8
[M+CH3COO]- 369.08587 200.1
[M+Na-2H]- 331.04669 169.5
[M]+ 310.07147 171.2
[M]- 310.07257 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.