CID 6480199

6-benzyl-1-[[(e)-2-methyl-3-phenyl-allyloxy]methyl]-5-propyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C25H28N2O3
SMILES
CCCC1=C(N(C(=O)NC1=O)COC/C(=C/C2=CC=CC=C2)/C)CC3=CC=CC=C3
InChI
InChI=1S/C25H28N2O3/c1-3-10-22-23(16-21-13-8-5-9-14-21)27(25(29)26-24(22)28)18-30-17-19(2)15-20-11-6-4-7-12-20/h4-9,11-15H,3,10,16-18H2,1-2H3,(H,26,28,29)/b19-15+
InChIKey
FURQMGVNYRTVQK-XDJHFCHBSA-N
Compound name
6-benzyl-1-[[(E)-2-methyl-3-phenylprop-2-enoxy]methyl]-5-propylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.21 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.21728 201.0
[M+Na]+ 427.19922 207.3
[M-H]- 403.20272 206.2
[M+NH4]+ 422.24382 207.9
[M+K]+ 443.17316 199.6
[M+H-H2O]+ 387.20726 189.2
[M+HCOO]- 449.20820 218.5
[M+CH3COO]- 463.22385 222.5
[M+Na-2H]- 425.18467 201.1
[M]+ 404.20945 203.0
[M]- 404.21055 203.0
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.