CID 3021394

Brn 4498265

Structural Information

Molecular Formula
C22H16N2O
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2N3C(=O)C=CN=C3C4=CC=CC=C4
InChI
InChI=1S/C22H16N2O/c25-21-15-16-23-22(18-11-5-2-6-12-18)24(21)20-14-8-7-13-19(20)17-9-3-1-4-10-17/h1-16H
InChIKey
UTSFQDCCLQPROX-UHFFFAOYSA-N
Compound name
2-phenyl-3-(2-phenylphenyl)pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.12625 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13353 178.6
[M+Na]+ 347.11547 187.1
[M-H]- 323.11897 188.4
[M+NH4]+ 342.16007 188.7
[M+K]+ 363.08941 179.3
[M+H-H2O]+ 307.12351 166.2
[M+HCOO]- 369.12445 199.9
[M+CH3COO]- 383.14010 189.1
[M+Na-2H]- 345.10092 184.7
[M]+ 324.12570 177.3
[M]- 324.12680 177.3
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

No patent data available for this compound.