CID 11659776

3-[(3,5-dimethylphenyl)methyl]-1-(2-pyridylmethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C19H19N3O2
SMILES
CC1=CC(=CC(=C1)CN2C(=O)C=CN(C2=O)CC3=CC=CC=N3)C
InChI
InChI=1S/C19H19N3O2/c1-14-9-15(2)11-16(10-14)12-22-18(23)6-8-21(19(22)24)13-17-5-3-4-7-20-17/h3-11H,12-13H2,1-2H3
InChIKey
UCWNZCXPHQKKKA-UHFFFAOYSA-N
Compound name
3-[(3,5-dimethylphenyl)methyl]-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

321.14774 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 177.6
[M+Na]+ 344.13696 188.3
[M-H]- 320.14046 184.1
[M+NH4]+ 339.18156 187.8
[M+K]+ 360.11090 181.5
[M+H-H2O]+ 304.14500 166.1
[M+HCOO]- 366.14594 197.9
[M+CH3COO]- 380.16159 188.6
[M+Na-2H]- 342.12241 181.5
[M]+ 321.14719 180.3
[M]- 321.14829 180.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.