CID 15958307

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

Structural Information

Molecular Formula
C22H24N2O2
SMILES
CC1=CC(=CC(=C1)CN2C=CC(=O)N(C2=O)CC3=CC(=CC(=C3)C)C)C
InChI
InChI=1S/C22H24N2O2/c1-15-7-16(2)10-19(9-15)13-23-6-5-21(25)24(22(23)26)14-20-11-17(3)8-18(4)12-20/h5-12H,13-14H2,1-4H3
InChIKey
WNKXKSRITQCGMJ-UHFFFAOYSA-N
Compound name
1,3-bis[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.18378 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19106 185.4
[M+Na]+ 371.17300 196.6
[M-H]- 347.17650 193.6
[M+NH4]+ 366.21760 196.5
[M+K]+ 387.14694 189.8
[M+H-H2O]+ 331.18104 174.6
[M+HCOO]- 393.18198 206.1
[M+CH3COO]- 407.19763 218.2
[M+Na-2H]- 369.15845 186.3
[M]+ 348.18323 189.6
[M]- 348.18433 189.6
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.