CID 11667412

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

Structural Information

Molecular Formula
C21H20N2O3
SMILES
CC1=CC(=CC(=C1)CN2C(=O)C=CN(C2=O)CC(=O)C3=CC=CC=C3)C
InChI
InChI=1S/C21H20N2O3/c1-15-10-16(2)12-17(11-15)13-23-20(25)8-9-22(21(23)26)14-19(24)18-6-4-3-5-7-18/h3-12H,13-14H2,1-2H3
InChIKey
DACGZSCHHHKJAH-UHFFFAOYSA-N
Compound name
3-[(3,5-dimethylphenyl)methyl]-1-phenacylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.1474 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.154676 182.5
[M+Na]+ 371.136618 192.1
[M-H]- 347.140124 190.3
[M+NH4]+ 366.181223 192.8
[M+K]+ 387.110558 186.1
[M+H-H2O]+ 331.144660 171.5
[M+HCOO]- 393.145601 203.0
[M+CH3COO]- 407.161251 215.0
[M+Na-2H]- 369.122066 184.5
[M]+ 348.14685142 185.6
[M]- 348.14794858 185.6
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.