CID 5280020

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

Structural Information

Molecular Formula
C23H24FN3O3
SMILES
CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC(=NC=C3)C)C(C)C)CF
InChI
InChI=1S/C23H24FN3O3/c1-13(2)19-20(21(28)18-8-14(3)7-17(10-18)11-24)27(23(30)26-22(19)29)12-16-5-6-25-15(4)9-16/h5-10,13H,11-12H2,1-4H3,(H,26,29,30)
InChIKey
CFFOFGZVSPQYBZ-UHFFFAOYSA-N
Compound name
6-[3-(fluoromethyl)-5-methylbenzoyl]-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

409.18018 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.18746 199.3
[M+Na]+ 432.16940 208.9
[M-H]- 408.17290 203.4
[M+NH4]+ 427.21400 205.3
[M+K]+ 448.14334 201.5
[M+H-H2O]+ 392.17744 187.1
[M+HCOO]- 454.17838 214.0
[M+CH3COO]- 468.19403 227.5
[M+Na-2H]- 430.15485 196.6
[M]+ 409.17963 201.0
[M]- 409.18073 201.0
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.