CID 5279585

6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-(3-methylbut-2-enoxymethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C19H22Cl2N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)COCC=C(C)C)CC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C19H22Cl2N2O3/c1-4-16-17(9-13-7-14(20)10-15(21)8-13)23(19(25)22-18(16)24)11-26-6-5-12(2)3/h5,7-8,10H,4,6,9,11H2,1-3H3,(H,22,24,25)
InChIKey
FDYUSLYKWAXAKB-UHFFFAOYSA-N
Compound name
6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-(3-methylbut-2-enoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.10074 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.10802 187.6
[M+Na]+ 419.08996 198.4
[M-H]- 395.09346 190.2
[M+NH4]+ 414.13456 197.8
[M+K]+ 435.06390 190.1
[M+H-H2O]+ 379.09800 179.8
[M+HCOO]- 441.09894 196.6
[M+CH3COO]- 455.11459 218.8
[M+Na-2H]- 417.07541 186.2
[M]+ 396.10019 194.7
[M]- 396.10129 194.7
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.