CID 6480198

1-[[(e)-cinnamyl]oxymethyl]-6-[(3,5-dimethylphenyl)methyl]-5-propyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C26H30N2O3
SMILES
CCCC1=C(N(C(=O)NC1=O)COC/C=C/C2=CC=CC=C2)CC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C26H30N2O3/c1-4-9-23-24(17-22-15-19(2)14-20(3)16-22)28(26(30)27-25(23)29)18-31-13-8-12-21-10-6-5-7-11-21/h5-8,10-12,14-16H,4,9,13,17-18H2,1-3H3,(H,27,29,30)/b12-8+
InChIKey
MAPMMMYKLZSWAD-XYOKQWHBSA-N
Compound name
6-[(3,5-dimethylphenyl)methyl]-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

418.22565 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.23293 206.1
[M+Na]+ 441.21487 214.1
[M-H]- 417.21837 211.7
[M+NH4]+ 436.25947 213.1
[M+K]+ 457.18881 205.8
[M+H-H2O]+ 401.22291 194.3
[M+HCOO]- 463.22385 224.2
[M+CH3COO]- 477.23950 227.1
[M+Na-2H]- 439.20032 205.2
[M]+ 418.22510 209.8
[M]- 418.22620 209.9
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.