CID 11975803

1,3,5-tribenzyl-6-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C26H24N2O2
SMILES
CC1=C(C(=O)N(C(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C26H24N2O2/c1-20-24(17-21-11-5-2-6-12-21)25(29)28(19-23-15-9-4-10-16-23)26(30)27(20)18-22-13-7-3-8-14-22/h2-16H,17-19H2,1H3
InChIKey
PJTKSHMQZVWOSO-UHFFFAOYSA-N
Compound name
1,3,5-tribenzyl-6-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

396.18378 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.19106 200.0
[M+Na]+ 419.17300 208.5
[M-H]- 395.17650 209.9
[M+NH4]+ 414.21760 207.5
[M+K]+ 435.14694 200.2
[M+H-H2O]+ 379.18104 186.7
[M+HCOO]- 441.18198 220.1
[M+CH3COO]- 455.19763 209.2
[M+Na-2H]- 417.15845 202.3
[M]+ 396.18323 201.4
[M]- 396.18433 201.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe