CID 11449962

5-ethyl-6-methyl-1-[2-(4-methylphenoxy)ethoxymethyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C17H22N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)COCCOC2=CC=C(C=C2)C)C
InChI
InChI=1S/C17H22N2O4/c1-4-15-13(3)19(17(21)18-16(15)20)11-22-9-10-23-14-7-5-12(2)6-8-14/h5-8H,4,9-11H2,1-3H3,(H,18,20,21)
InChIKey
JPTYKIXYTNDINO-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-1-[2-(4-methylphenoxy)ethoxymethyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.15796 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.165236 173.8
[M+Na]+ 341.147178 183.4
[M-H]- 317.150684 177.2
[M+NH4]+ 336.191783 185.4
[M+K]+ 357.121118 178.7
[M+H-H2O]+ 301.155220 164.5
[M+HCOO]- 363.156161 194.0
[M+CH3COO]- 377.171811 206.7
[M+Na-2H]- 339.132626 176.2
[M]+ 318.15741142 179.3
[M]- 318.15850858 179.3
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.