CID 16095238

6-[3-(allyloxy)benzyl]-5-ethyl-1h-pyrimidin-2,4-dione

Structural Information

Molecular Formula
C16H18N2O3
SMILES
CCC1=C(NC(=O)NC1=O)CC2=CC(=CC=C2)OCC=C
InChI
InChI=1S/C16H18N2O3/c1-3-8-21-12-7-5-6-11(9-12)10-14-13(4-2)15(19)18-16(20)17-14/h3,5-7,9H,1,4,8,10H2,2H3,(H2,17,18,19,20)
InChIKey
GYNFRUWMLXYUKG-UHFFFAOYSA-N
Compound name
5-ethyl-6-[(3-prop-2-enoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.13174 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13902 165.9
[M+Na]+ 309.12096 175.1
[M-H]- 285.12446 167.7
[M+NH4]+ 304.16556 177.9
[M+K]+ 325.09490 168.5
[M+H-H2O]+ 269.12900 157.2
[M+HCOO]- 331.12994 185.0
[M+CH3COO]- 345.14559 197.1
[M+Na-2H]- 307.10641 169.1
[M]+ 286.13119 166.7
[M]- 286.13229 166.7
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.