CID 698951

1,3-dibenzylpyrimidine-2,4-dione

Structural Information

Molecular Formula
C18H16N2O2
SMILES
C1=CC=C(C=C1)CN2C=CC(=O)N(C2=O)CC3=CC=CC=C3
InChI
InChI=1S/C18H16N2O2/c21-17-11-12-19(13-15-7-3-1-4-8-15)18(22)20(17)14-16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKey
FBMVAPDYFISJGR-UHFFFAOYSA-N
Compound name
1,3-dibenzylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

6
Patents

292.1212 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.128476 167.5
[M+Na]+ 315.110418 176.8
[M-H]- 291.113924 174.8
[M+NH4]+ 310.155023 179.7
[M+K]+ 331.084358 170.6
[M+H-H2O]+ 275.118460 156.7
[M+HCOO]- 337.119401 189.6
[M+CH3COO]- 351.135051 179.1
[M+Na-2H]- 313.095866 173.5
[M]+ 292.12065142 168.6
[M]- 292.12174858 168.6
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

patents stripe