CID 5280047

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

Structural Information

Molecular Formula
C24H27N3O4
SMILES
CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC(=NC(=C3)C)CO)C(C)C)C
InChI
InChI=1S/C24H27N3O4/c1-13(2)20-21(22(29)18-7-14(3)6-15(4)8-18)27(24(31)26-23(20)30)11-17-9-16(5)25-19(10-17)12-28/h6-10,13,28H,11-12H2,1-5H3,(H,26,30,31)
InChIKey
UXUUTFYMDOKNMI-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylbenzoyl)-1-[[2-(hydroxymethyl)-6-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

421.20016 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.20744 203.6
[M+Na]+ 444.18938 212.9
[M-H]- 420.19288 208.1
[M+NH4]+ 439.23398 208.7
[M+K]+ 460.16332 206.1
[M+H-H2O]+ 404.19742 192.7
[M+HCOO]- 466.19836 217.8
[M+CH3COO]- 480.21401 229.3
[M+Na-2H]- 442.17483 200.1
[M]+ 421.19961 206.8
[M]- 421.20071 206.8
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.