CID 5280006

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

Structural Information

Molecular Formula
C19H17N3O3
SMILES
CCC1=C(N(C(=O)NC1=O)CC2=CC=NC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H17N3O3/c1-2-15-16(17(23)14-6-4-3-5-7-14)22(19(25)21-18(15)24)12-13-8-10-20-11-9-13/h3-11H,2,12H2,1H3,(H,21,24,25)
InChIKey
FJZJCIFOESKTMI-UHFFFAOYSA-N
Compound name
6-benzoyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.12698 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.13426 179.0
[M+Na]+ 358.11620 188.1
[M-H]- 334.11970 184.0
[M+NH4]+ 353.16080 187.4
[M+K]+ 374.09014 181.2
[M+H-H2O]+ 318.12424 167.8
[M+HCOO]- 380.12518 197.3
[M+CH3COO]- 394.14083 208.4
[M+Na-2H]- 356.10165 182.4
[M]+ 335.12643 179.7
[M]- 335.12753 179.7
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.