CID 5279979

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

Structural Information

Molecular Formula
C21H20FN3O3
SMILES
CC1=CC(=CC(=C1)F)C(=O)C2=C(C(=O)NC(=O)N2CC3=CN=CC=C3)C(C)C
InChI
InChI=1S/C21H20FN3O3/c1-12(2)17-18(19(26)15-7-13(3)8-16(22)9-15)25(21(28)24-20(17)27)11-14-5-4-6-23-10-14/h4-10,12H,11H2,1-3H3,(H,24,27,28)
InChIKey
HYHLNSXFWSIZAP-UHFFFAOYSA-N
Compound name
6-(3-fluoro-5-methylbenzoyl)-5-propan-2-yl-1-(pyridin-3-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.14886 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.15614 190.4
[M+Na]+ 404.13808 200.1
[M-H]- 380.14158 194.5
[M+NH4]+ 399.18268 197.3
[M+K]+ 420.11202 193.0
[M+H-H2O]+ 364.14612 178.4
[M+HCOO]- 426.14706 205.9
[M+CH3COO]- 440.16271 220.3
[M+Na-2H]- 402.12353 189.6
[M]+ 381.14831 191.1
[M]- 381.14941 191.1
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

No patent data available for this compound.