CID 11624569

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

Structural Information

Molecular Formula
C20H19ClN2O2
SMILES
CC1=CC(=CC(=C1)CN2C(=O)C=CN(C2=O)CC3=CC(=CC=C3)Cl)C
InChI
InChI=1S/C20H19ClN2O2/c1-14-8-15(2)10-17(9-14)13-23-19(24)6-7-22(20(23)25)12-16-4-3-5-18(21)11-16/h3-11H,12-13H2,1-2H3
InChIKey
UHMKWVZNKIFKSE-UHFFFAOYSA-N
Compound name
1-[(3-chlorophenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.1135 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12078 182.8
[M+Na]+ 377.10272 194.6
[M-H]- 353.10622 190.6
[M+NH4]+ 372.14732 194.3
[M+K]+ 393.07666 186.8
[M+H-H2O]+ 337.11076 172.4
[M+HCOO]- 399.11170 199.5
[M+CH3COO]- 413.12735 214.6
[M+Na-2H]- 375.08817 185.0
[M]+ 354.11295 188.1
[M]- 354.11405 188.1
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.