CID 5280031

6-(3,5-dimethylbenzoyl)-1-[(2,6-dimethyl-4-pyridyl)methyl]-5-ethyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C23H25N3O3
SMILES
CCC1=C(N(C(=O)NC1=O)CC2=CC(=NC(=C2)C)C)C(=O)C3=CC(=CC(=C3)C)C
InChI
InChI=1S/C23H25N3O3/c1-6-19-20(21(27)18-8-13(2)7-14(3)9-18)26(23(29)25-22(19)28)12-17-10-15(4)24-16(5)11-17/h7-11H,6,12H2,1-5H3,(H,25,28,29)
InChIKey
JSNHHXIQPWYXBU-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylbenzoyl)-1-[(2,6-dimethylpyridin-4-yl)methyl]-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.1896 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.19688 197.0
[M+Na]+ 414.17882 207.8
[M-H]- 390.18232 202.8
[M+NH4]+ 409.22342 204.2
[M+K]+ 430.15276 200.4
[M+H-H2O]+ 374.18686 185.9
[M+HCOO]- 436.18780 213.7
[M+CH3COO]- 450.20345 225.3
[M+Na-2H]- 412.16427 195.2
[M]+ 391.18905 200.7
[M]- 391.19015 200.7
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.