CID 15957836

6-(3,5-dimethylbenzoyl)-5-isopropyl-1-phenacyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C24H24N2O4
SMILES
CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC(=O)C3=CC=CC=C3)C(C)C)C
InChI
InChI=1S/C24H24N2O4/c1-14(2)20-21(22(28)18-11-15(3)10-16(4)12-18)26(24(30)25-23(20)29)13-19(27)17-8-6-5-7-9-17/h5-12,14H,13H2,1-4H3,(H,25,29,30)
InChIKey
JMIGTADZQONMJJ-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylbenzoyl)-1-phenacyl-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

404.1736 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.18088 195.7
[M+Na]+ 427.16282 203.7
[M-H]- 403.16632 202.2
[M+NH4]+ 422.20742 202.8
[M+K]+ 443.13676 197.9
[M+H-H2O]+ 387.17086 185.1
[M+HCOO]- 449.17180 212.0
[M+CH3COO]- 463.18745 226.2
[M+Na-2H]- 425.14827 193.0
[M]+ 404.17305 198.1
[M]- 404.17415 198.1
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

patents stripe