CID 11494565

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

Structural Information

Molecular Formula
C24H28N2O2
SMILES
CC1=CC(=CC(=C1)CN2C(=O)C=CN(C2=O)CC3=CC=C(C=C3)C(C)(C)C)C
InChI
InChI=1S/C24H28N2O2/c1-17-12-18(2)14-20(13-17)16-26-22(27)10-11-25(23(26)28)15-19-6-8-21(9-7-19)24(3,4)5/h6-14H,15-16H2,1-5H3
InChIKey
SLAWDJSRDCBNPJ-UHFFFAOYSA-N
Compound name
1-[(4-tert-butylphenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.2151 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.22238 194.9
[M+Na]+ 399.20432 204.7
[M-H]- 375.20782 202.8
[M+NH4]+ 394.24892 204.8
[M+K]+ 415.17826 198.1
[M+H-H2O]+ 359.21236 184.2
[M+HCOO]- 421.21330 213.3
[M+CH3COO]- 435.22895 222.6
[M+Na-2H]- 397.18977 196.4
[M]+ 376.21455 198.8
[M]- 376.21565 198.8
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.