CID 16095226

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

Structural Information

Molecular Formula
C17H20N2O2
SMILES
CCC1=C(NC(=O)NC1=O)CC2=CC=CC(=C2)CCC=C
InChI
InChI=1S/C17H20N2O2/c1-3-5-7-12-8-6-9-13(10-12)11-15-14(4-2)16(20)19-17(21)18-15/h3,6,8-10H,1,4-5,7,11H2,2H3,(H2,18,19,20,21)
InChIKey
CQYZFZHPLGVVHX-UHFFFAOYSA-N
Compound name
6-[(3-but-3-enylphenyl)methyl]-5-ethyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.15247 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 167.4
[M+Na]+ 307.14169 176.3
[M-H]- 283.14519 169.0
[M+NH4]+ 302.18629 179.5
[M+K]+ 323.11563 168.8
[M+H-H2O]+ 267.14973 158.7
[M+HCOO]- 329.15067 185.9
[M+CH3COO]- 343.16632 197.9
[M+Na-2H]- 305.12714 170.0
[M]+ 284.15192 167.1
[M]- 284.15302 167.1
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.