CID 5279584

1-allyloxymethyl-6-(3,5-dichloro-benzyl)-5-ethyl-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C17H18Cl2N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)COCC=C)CC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C17H18Cl2N2O3/c1-3-5-24-10-21-15(14(4-2)16(22)20-17(21)23)8-11-6-12(18)9-13(19)7-11/h3,6-7,9H,1,4-5,8,10H2,2H3,(H,20,22,23)
InChIKey
JLVCTNSZPNGUBP-UHFFFAOYSA-N
Compound name
6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-(prop-2-enoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.06946 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.07674 179.6
[M+Na]+ 391.05868 191.4
[M-H]- 367.06218 182.3
[M+NH4]+ 386.10328 190.9
[M+K]+ 407.03262 183.0
[M+H-H2O]+ 351.06672 171.9
[M+HCOO]- 413.06766 190.0
[M+CH3COO]- 427.08331 212.8
[M+Na-2H]- 389.04413 180.1
[M]+ 368.06891 186.5
[M]- 368.07001 186.5
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.