CID 10762837

89972-76-9

Structural Information

Molecular Formula

C₂₁H₁₄BrN₃

SMILES

C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H14BrN3/c22-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19/h1-14H

InChIKey

BOPPHKMZOYPASP-UHFFFAOYSA-N

Compound name

4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 142
Patents: 387.0371 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	388.04438	184.0
[M+Na]+	410.02632	194.8
[M-H]-	386.02982	194.5
[M+NH4]+	405.07092	194.5
[M+K]+	426.00026	180.6
[M+H-H2O]+	370.03436	179.4
[M+HCOO]-	432.03530	201.7
[M+CH3COO]-	446.05095	195.5
[M+Na-2H]-	408.01177	191.5
[M]+	387.03655	200.9
[M]-	387.03765	200.9

Literature stripe

literature stripe

Patent stripe

patents stripe