CID 16095229

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

Structural Information

Molecular Formula
C20H24N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)COCC=C)CC2=CC(=CC=C2)OCC=C
InChI
InChI=1S/C20H24N2O4/c1-4-10-25-14-22-18(17(6-3)19(23)21-20(22)24)13-15-8-7-9-16(12-15)26-11-5-2/h4-5,7-9,12H,1-2,6,10-11,13-14H2,3H3,(H,21,23,24)
InChIKey
KPACMVKYQQEORO-UHFFFAOYSA-N
Compound name
5-ethyl-1-(prop-2-enoxymethyl)-6-[(3-prop-2-enoxyphenyl)methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1736 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.18088 184.5
[M+Na]+ 379.16282 193.3
[M-H]- 355.16632 187.3
[M+NH4]+ 374.20742 194.3
[M+K]+ 395.13676 186.7
[M+H-H2O]+ 339.17086 174.7
[M+HCOO]- 401.17180 204.0
[M+CH3COO]- 415.18745 214.1
[M+Na-2H]- 377.14827 185.4
[M]+ 356.17305 189.6
[M]- 356.17415 189.6
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.