CID 3258315

1-[2-(4-methylphenoxy)ethoxymethyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C14H16N2O4
SMILES
CC1=CC=C(C=C1)OCCOCN2C=CC(=O)NC2=O
InChI
InChI=1S/C14H16N2O4/c1-11-2-4-12(5-3-11)20-9-8-19-10-16-7-6-13(17)15-14(16)18/h2-7H,8-10H2,1H3,(H,15,17,18)
InChIKey
FQIALJIEDDBLRH-UHFFFAOYSA-N
Compound name
1-[2-(4-methylphenoxy)ethoxymethyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.111 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 160.3
[M+Na]+ 299.10022 169.4
[M-H]- 275.10372 163.4
[M+NH4]+ 294.14482 173.0
[M+K]+ 315.07416 165.3
[M+H-H2O]+ 259.10826 151.1
[M+HCOO]- 321.10920 181.6
[M+CH3COO]- 335.12485 195.2
[M+Na-2H]- 297.08567 165.8
[M]+ 276.11045 163.9
[M]- 276.11155 163.9
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.