CID 5280030

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

Structural Information

Molecular Formula
C23H24ClN3O3
SMILES
CC1=CC(=CC(=C1)Cl)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC(=NC(=C3)C)C)C(C)C
InChI
InChI=1S/C23H24ClN3O3/c1-12(2)19-20(21(28)17-6-13(3)7-18(24)10-17)27(23(30)26-22(19)29)11-16-8-14(4)25-15(5)9-16/h6-10,12H,11H2,1-5H3,(H,26,29,30)
InChIKey
XBSBVSMQYGPYKG-UHFFFAOYSA-N
Compound name
6-(3-chloro-5-methylbenzoyl)-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

425.1506 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.15788 200.2
[M+Na]+ 448.13982 211.3
[M-H]- 424.14332 205.8
[M+NH4]+ 443.18442 206.9
[M+K]+ 464.11376 203.3
[M+H-H2O]+ 408.14786 189.7
[M+HCOO]- 470.14880 211.5
[M+CH3COO]- 484.16445 229.7
[M+Na-2H]- 446.12527 197.2
[M]+ 425.15005 205.7
[M]- 425.15115 205.7
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.