CID 5280026

2,4(1h,3h)-pyrimidinedione, 6-(3,5-dimethylbenzoyl)-5-(1-methylethyl)-1-[(2,6-dimethyl-4-pyridinyl)methyl]-

Structural Information

Molecular Formula
C24H27N3O3
SMILES
CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC(=NC(=C3)C)C)C(C)C)C
InChI
InChI=1S/C24H27N3O3/c1-13(2)20-21(22(28)19-8-14(3)7-15(4)9-19)27(24(30)26-23(20)29)12-18-10-16(5)25-17(6)11-18/h7-11,13H,12H2,1-6H3,(H,26,29,30)
InChIKey
OSZLHEFTGVMXBT-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylbenzoyl)-1-[(2,6-dimethylpyridin-4-yl)methyl]-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.20523 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.21251 199.9
[M+Na]+ 428.19445 210.0
[M-H]- 404.19795 205.7
[M+NH4]+ 423.23905 206.5
[M+K]+ 444.16839 203.1
[M+H-H2O]+ 388.20249 188.9
[M+HCOO]- 450.20343 215.4
[M+CH3COO]- 464.21908 229.2
[M+Na-2H]- 426.17990 196.8
[M]+ 405.20468 203.5
[M]- 405.20578 203.5
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.