CID 3021396

Brn 4524298

Structural Information

Molecular Formula
C22H15ClN2O
SMILES
C1=CC=C(C=C1)C2=CC(=O)N(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4Cl
InChI
InChI=1S/C22H15ClN2O/c23-18-13-7-8-14-20(18)25-21(26)15-19(16-9-3-1-4-10-16)24-22(25)17-11-5-2-6-12-17/h1-15H
InChIKey
CNQJUVWAGKKHCQ-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-2,6-diphenylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.08728 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.09456 185.5
[M+Na]+ 381.07650 195.6
[M-H]- 357.08000 195.3
[M+NH4]+ 376.12110 195.4
[M+K]+ 397.05044 186.6
[M+H-H2O]+ 341.08454 173.3
[M+HCOO]- 403.08548 202.0
[M+CH3COO]- 417.10113 195.9
[M+Na-2H]- 379.06195 190.2
[M]+ 358.08673 187.0
[M]- 358.08783 187.0
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.