CID 10358644

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

Structural Information

Molecular Formula
C20H20N2O2
SMILES
CC1=CC(=CC(=C1)CN2C(=O)C=CN(C2=O)CC3=CC=CC=C3)C
InChI
InChI=1S/C20H20N2O2/c1-15-10-16(2)12-18(11-15)14-22-19(23)8-9-21(20(22)24)13-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3
InChIKey
URTPIAIOIXYPEX-UHFFFAOYSA-N
Compound name
1-benzyl-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

320.15247 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 176.6
[M+Na]+ 343.14169 186.9
[M-H]- 319.14519 184.4
[M+NH4]+ 338.18629 188.3
[M+K]+ 359.11563 180.4
[M+H-H2O]+ 303.14973 165.8
[M+HCOO]- 365.15067 198.1
[M+CH3COO]- 379.16632 209.8
[M+Na-2H]- 341.12714 180.1
[M]+ 320.15192 179.3
[M]- 320.15302 179.3
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.