CID 486778

1-allyl-6-benzyl-5-phenyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C20H18N2O2
SMILES
C=CCN1C(=C(C(=O)NC1=O)C2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C20H18N2O2/c1-2-13-22-17(14-15-9-5-3-6-10-15)18(19(23)21-20(22)24)16-11-7-4-8-12-16/h2-12H,1,13-14H2,(H,21,23,24)
InChIKey
PGRXORPHPAUYSZ-UHFFFAOYSA-N
Compound name
6-benzyl-5-phenyl-1-prop-2-enylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.13684 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14412 175.9
[M+Na]+ 341.12606 185.0
[M-H]- 317.12956 181.9
[M+NH4]+ 336.17066 186.5
[M+K]+ 357.10000 177.0
[M+H-H2O]+ 301.13410 165.3
[M+HCOO]- 363.13504 196.0
[M+CH3COO]- 377.15069 186.3
[M+Na-2H]- 339.11151 179.7
[M]+ 318.13629 175.6
[M]- 318.13739 175.6
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.