CID 5280004

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

Structural Information

Molecular Formula
C20H19N3O3
SMILES
CCC1=C(N(C(=O)NC1=O)CC2=CC=NC=C2)C(=O)C3=CC=CC(=C3)C
InChI
InChI=1S/C20H19N3O3/c1-3-16-17(18(24)15-6-4-5-13(2)11-15)23(20(26)22-19(16)25)12-14-7-9-21-10-8-14/h4-11H,3,12H2,1-2H3,(H,22,25,26)
InChIKey
SUCXHSCDSPYEKH-UHFFFAOYSA-N
Compound name
5-ethyl-6-(3-methylbenzoyl)-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.14264 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.14992 183.7
[M+Na]+ 372.13186 193.2
[M-H]- 348.13536 188.8
[M+NH4]+ 367.17646 191.7
[M+K]+ 388.10580 186.2
[M+H-H2O]+ 332.13990 172.4
[M+HCOO]- 394.14084 201.6
[M+CH3COO]- 408.15649 212.6
[M+Na-2H]- 370.11731 185.7
[M]+ 349.14209 185.1
[M]- 349.14319 185.1
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.