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

112
Patents

342.09238 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09966 182.0
[M+Na]+ 365.08160 191.1
[M-H]- 341.08510 191.2
[M+NH4]+ 360.12620 192.3
[M+K]+ 381.05554 181.8
[M+H-H2O]+ 325.08964 169.8
[M+HCOO]- 387.09058 198.2
[M+CH3COO]- 401.10623 192.2
[M+Na-2H]- 363.06705 187.6
[M]+ 342.09183 182.4
[M]- 342.09293 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