CID 6480196

6-benzyl-1-[[(e)-cinnamyl]oxymethyl]-5-propyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C24H26N2O3
SMILES
CCCC1=C(N(C(=O)NC1=O)COC/C=C/C2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C24H26N2O3/c1-2-10-21-22(17-20-13-7-4-8-14-20)26(24(28)25-23(21)27)18-29-16-9-15-19-11-5-3-6-12-19/h3-9,11-15H,2,10,16-18H2,1H3,(H,25,27,28)/b15-9+
InChIKey
LPKGLHWAXVPLCL-OQLLNIDSSA-N
Compound name
6-benzyl-1-[[(E)-3-phenylprop-2-enoxy]methyl]-5-propylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.19434 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.20162 196.9
[M+Na]+ 413.18356 204.0
[M-H]- 389.18706 202.1
[M+NH4]+ 408.22816 204.5
[M+K]+ 429.15750 195.9
[M+H-H2O]+ 373.19160 185.1
[M+HCOO]- 435.19254 215.8
[M+CH3COO]- 449.20819 218.7
[M+Na-2H]- 411.16901 198.6
[M]+ 390.19379 199.1
[M]- 390.19489 199.1
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.