CID 118039713

4-(3-chlorophenyl)-2,6-diphenylpyrimidine

Structural Information

Molecular Formula
C22H15ClN2
SMILES
C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C22H15ClN2/c23-19-13-7-12-18(14-19)21-15-20(16-8-3-1-4-9-16)24-22(25-21)17-10-5-2-6-11-17/h1-15H
InChIKey
FDTRHTNHPKRWFG-UHFFFAOYSA-N
Compound name
4-(3-chlorophenyl)-2,6-diphenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

342.09238 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.099656 182.0
[M+Na]+ 365.081598 191.1
[M-H]- 341.085104 191.2
[M+NH4]+ 360.126203 192.3
[M+K]+ 381.055538 181.8
[M+H-H2O]+ 325.089640 169.8
[M+HCOO]- 387.090581 198.2
[M+CH3COO]- 401.106231 192.2
[M+Na-2H]- 363.067046 187.6
[M]+ 342.09183142 182.4
[M]- 342.09292858 182.4
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