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]+ 349.15468 182.5
[M+Na]+ 371.13662 192.1
[M-H]- 347.14012 190.3
[M+NH4]+ 366.18122 192.8
[M+K]+ 387.11056 186.1
[M+H-H2O]+ 331.14466 171.5
[M+HCOO]- 393.14560 203.0
[M+CH3COO]- 407.16125 215.0
[M+Na-2H]- 369.12207 184.5
[M]+ 348.14685 185.6
[M]- 348.14795 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.