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]+ 319.16524 173.8
[M+Na]+ 341.14718 183.4
[M-H]- 317.15068 177.2
[M+NH4]+ 336.19178 185.4
[M+K]+ 357.12112 178.7
[M+H-H2O]+ 301.15522 164.5
[M+HCOO]- 363.15616 194.0
[M+CH3COO]- 377.17181 206.7
[M+Na-2H]- 339.13263 176.2
[M]+ 318.15741 179.3
[M]- 318.15851 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.