CID 5279588

2,4(1h,3h)-pyrimidinedione, 6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-[[[(2e)-2-methyl-3-phenyl-2-propenyl]oxy]methyl]-

Structural Information

Molecular Formula
C24H24Cl2N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)COC/C(=C/C2=CC=CC=C2)/C)CC3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C24H24Cl2N2O3/c1-3-21-22(12-18-10-19(25)13-20(26)11-18)28(24(30)27-23(21)29)15-31-14-16(2)9-17-7-5-4-6-8-17/h4-11,13H,3,12,14-15H2,1-2H3,(H,27,29,30)/b16-9+
InChIKey
MAGCSLZXGQZXKO-CXUHLZMHSA-N
Compound name
6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-[[(E)-2-methyl-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.1164 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.12368 206.1
[M+Na]+ 481.10562 215.7
[M-H]- 457.10912 211.2
[M+NH4]+ 476.15022 213.0
[M+K]+ 497.07956 206.2
[M+H-H2O]+ 441.11366 195.9
[M+HCOO]- 503.11460 214.4
[M+CH3COO]- 517.13025 229.3
[M+Na-2H]- 479.09107 204.3
[M]+ 458.11585 212.4
[M]- 458.11695 212.4
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.