CID 5279991

6-(3,5-dichlorobenzoyl)-5-ethyl-1-(4-pyridylmethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C19H15Cl2N3O3
SMILES
CCC1=C(N(C(=O)NC1=O)CC2=CC=NC=C2)C(=O)C3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C19H15Cl2N3O3/c1-2-15-16(17(25)12-7-13(20)9-14(21)8-12)24(19(27)23-18(15)26)10-11-3-5-22-6-4-11/h3-9H,2,10H2,1H3,(H,23,26,27)
InChIKey
QVYLAAOFRKNOSW-UHFFFAOYSA-N
Compound name
6-(3,5-dichlorobenzoyl)-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.04904 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.05632 187.8
[M+Na]+ 426.03826 199.4
[M-H]- 402.04176 192.4
[M+NH4]+ 421.08286 195.4
[M+K]+ 442.01220 190.7
[M+H-H2O]+ 386.04630 177.6
[M+HCOO]- 448.04724 196.3
[M+CH3COO]- 462.06289 218.4
[M+Na-2H]- 424.02371 188.6
[M]+ 403.04849 192.8
[M]- 403.04959 192.8
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.