CID 5279987

6-(3,5-difluorobenzoyl)-5-ethyl-1-(4-pyridylmethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C19H15F2N3O3
SMILES
CCC1=C(N(C(=O)NC1=O)CC2=CC=NC=C2)C(=O)C3=CC(=CC(=C3)F)F
InChI
InChI=1S/C19H15F2N3O3/c1-2-15-16(17(25)12-7-13(20)9-14(21)8-12)24(19(27)23-18(15)26)10-11-3-5-22-6-4-11/h3-9H,2,10H2,1H3,(H,23,26,27)
InChIKey
ZSEGMUXNTOXMFO-UHFFFAOYSA-N
Compound name
6-(3,5-difluorobenzoyl)-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.10815 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.11543 185.8
[M+Na]+ 394.09737 196.7
[M-H]- 370.10087 188.7
[M+NH4]+ 389.14197 193.1
[M+K]+ 410.07131 188.9
[M+H-H2O]+ 354.10541 172.9
[M+HCOO]- 416.10635 201.8
[M+CH3COO]- 430.12200 216.2
[M+Na-2H]- 392.08282 186.3
[M]+ 371.10760 185.2
[M]- 371.10870 185.2
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.