CID 15958305

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

Structural Information

Molecular Formula
C21H22N2O2
SMILES
CC1=CC(=CC(=C1)CN2C(=O)C=CN(C2=O)CCC3=CC=CC=C3)C
InChI
InChI=1S/C21H22N2O2/c1-16-12-17(2)14-19(13-16)15-23-20(24)9-11-22(21(23)25)10-8-18-6-4-3-5-7-18/h3-7,9,11-14H,8,10,15H2,1-2H3
InChIKey
SMTFOYBXNFTYFK-UHFFFAOYSA-N
Compound name
3-[(3,5-dimethylphenyl)methyl]-1-(2-phenylethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.16812 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17540 181.2
[M+Na]+ 357.15734 191.0
[M-H]- 333.16084 188.7
[M+NH4]+ 352.20194 192.3
[M+K]+ 373.13128 184.3
[M+H-H2O]+ 317.16538 170.1
[M+HCOO]- 379.16632 202.3
[M+CH3COO]- 393.18197 212.7
[M+Na-2H]- 355.14279 184.1
[M]+ 334.16757 184.1
[M]- 334.16867 184.1
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.