CID 11573324

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

Structural Information

Molecular Formula
C19H19N3O2
SMILES
CC1=CC(=CC(=C1)CN2C(=O)C=CN(C2=O)CC3=CN=CC=C3)C
InChI
InChI=1S/C19H19N3O2/c1-14-8-15(2)10-17(9-14)13-22-18(23)5-7-21(19(22)24)12-16-4-3-6-20-11-16/h3-11H,12-13H2,1-2H3
InChIKey
BOGLCNMZHOTVAV-UHFFFAOYSA-N
Compound name
3-[(3,5-dimethylphenyl)methyl]-1-(pyridin-3-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

321.14774 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.155016 177.6
[M+Na]+ 344.136958 188.3
[M-H]- 320.140464 184.1
[M+NH4]+ 339.181563 187.8
[M+K]+ 360.110898 181.5
[M+H-H2O]+ 304.145000 166.1
[M+HCOO]- 366.145941 197.9
[M+CH3COO]- 380.161591 188.6
[M+Na-2H]- 342.122406 181.5
[M]+ 321.14719142 180.3
[M]- 321.14828858 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.