CID 5280016

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

Structural Information

Molecular Formula
C23H25N3O3
SMILES
CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC(=NC=C3)C)C(C)C)C
InChI
InChI=1S/C23H25N3O3/c1-13(2)19-20(21(27)18-9-14(3)8-15(4)10-18)26(23(29)25-22(19)28)12-17-6-7-24-16(5)11-17/h6-11,13H,12H2,1-5H3,(H,25,28,29)
InChIKey
OMRHARIBQAPWST-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylbenzoyl)-1-[(2-methylpyridin-4-yl)methyl]-5-propan-2-ylpyrimidine-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 195.8
[M+Na]+ 414.17882 205.4
[M-H]- 390.18232 201.3
[M+NH4]+ 409.22342 202.6
[M+K]+ 430.15276 198.6
[M+H-H2O]+ 374.18686 184.7
[M+HCOO]- 436.18780 211.6
[M+CH3COO]- 450.20345 224.9
[M+Na-2H]- 412.16427 193.8
[M]+ 391.18905 198.6
[M]- 391.19015 198.6
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.