CID 5280005

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

Structural Information

Molecular Formula
C20H19N3O3
SMILES
CC(C)C1=C(N(C(=O)NC1=O)CC2=CC=NC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H19N3O3/c1-13(2)16-17(18(24)15-6-4-3-5-7-15)23(20(26)22-19(16)25)12-14-8-10-21-11-9-14/h3-11,13H,12H2,1-2H3,(H,22,25,26)
InChIKey
CNNYZIJUPVYQMB-UHFFFAOYSA-N
Compound name
6-benzoyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.14264 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.14992 182.6
[M+Na]+ 372.13186 190.9
[M-H]- 348.13536 187.5
[M+NH4]+ 367.17646 190.3
[M+K]+ 388.10580 184.4
[M+H-H2O]+ 332.13990 171.4
[M+HCOO]- 394.14084 199.6
[M+CH3COO]- 408.15649 212.2
[M+Na-2H]- 370.11731 184.5
[M]+ 349.14209 183.1
[M]- 349.14319 183.1
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.