PubChemLite - 6,6'-bis(1,1-di(pyridin-2-yl)ethyl)-2,2'-bipyridine (C34H28N6)

Structural Information

Molecular Formula

SMILES

CC(C1=CC=CC=N1)(C2=CC=CC=N2)C3=CC=CC(=N3)C4=NC(=CC=C4)C(C)(C5=CC=CC=N5)C6=CC=CC=N6

InChI

InChI=1S/C34H28N6/c1-33(27-15-3-7-21-35-27,28-16-4-8-22-36-28)31-19-11-13-25(39-31)26-14-12-20-32(40-26)34(2,29-17-5-9-23-37-29)30-18-6-10-24-38-30/h3-24H,1-2H3

InChIKey

KXKXSRIUYIEDOL-UHFFFAOYSA-N

Compound name

2-(1,1-dipyridin-2-ylethyl)-6-[6-(1,1-dipyridin-2-ylethyl)pyridin-2-yl]pyridine

Related CIDs

2D Structure

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]+	521.24483	232.0
[M+Na]+	543.22677	236.1
[M-H]-	519.23027	240.1
[M+NH4]+	538.27137	226.5
[M+K]+	559.20071	224.0
[M+H-H2O]+	503.23481	213.4
[M+HCOO]-	565.23575	240.3
[M+CH3COO]-	579.25140	234.8
[M+Na-2H]-	541.21222	239.0
[M]+	520.23700	227.2
[M]-	520.23810	227.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

521.24483

232.0

[M+Na]+

543.22677

236.1

[M-H]-

519.23027

240.1

[M+NH4]+

538.27137

226.5

[M+K]+

559.20071

224.0

[M+H-H2O]+

503.23481

213.4

[M+HCOO]-

565.23575

240.3

[M+CH3COO]-

579.25140

234.8

[M+Na-2H]-

541.21222

239.0

[M]+

520.23700

227.2

[M]-

520.23810

227.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

6,6'-bis(1,1-di(pyridin-2-yl)ethyl)-2,2'-bipyridine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe