CID 5279982

5-ethyl-6-(3-fluoro-5-methyl-benzoyl)-1-(3-pyridylmethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C20H18FN3O3
SMILES
CCC1=C(N(C(=O)NC1=O)CC2=CN=CC=C2)C(=O)C3=CC(=CC(=C3)C)F
InChI
InChI=1S/C20H18FN3O3/c1-3-16-17(18(25)14-7-12(2)8-15(21)9-14)24(20(27)23-19(16)26)11-13-5-4-6-22-10-13/h4-10H,3,11H2,1-2H3,(H,23,26,27)
InChIKey
PJRTWXISKMHRTP-UHFFFAOYSA-N
Compound name
5-ethyl-6-(3-fluoro-5-methylbenzoyl)-1-(pyridin-3-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1332 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14048 187.1
[M+Na]+ 390.12242 197.5
[M-H]- 366.12592 191.2
[M+NH4]+ 385.16702 194.6
[M+K]+ 406.09636 190.0
[M+H-H2O]+ 350.13046 175.0
[M+HCOO]- 412.13140 203.8
[M+CH3COO]- 426.14705 216.5
[M+Na-2H]- 388.10787 187.7
[M]+ 367.13265 187.9
[M]- 367.13375 187.9
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.