CID 5279583

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

Structural Information

Molecular Formula
C16H18Cl2N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)COCC)CC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C16H18Cl2N2O3/c1-3-13-14(7-10-5-11(17)8-12(18)6-10)20(9-23-4-2)16(22)19-15(13)21/h5-6,8H,3-4,7,9H2,1-2H3,(H,19,21,22)
InChIKey
MZQVEGGTTJTCRD-UHFFFAOYSA-N
Compound name
6-[(3,5-dichlorophenyl)methyl]-1-(ethoxymethyl)-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.06946 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.07674 176.1
[M+Na]+ 379.05868 188.0
[M-H]- 355.06218 178.9
[M+NH4]+ 374.10328 187.9
[M+K]+ 395.03262 180.5
[M+H-H2O]+ 339.06672 168.5
[M+HCOO]- 401.06766 186.7
[M+CH3COO]- 415.08331 210.6
[M+Na-2H]- 377.04413 177.2
[M]+ 356.06891 183.3
[M]- 356.07001 183.3
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.