PubChemLite - 1h-imidazo(1,2-a)pyridin-4-ium, 1,1'-hexamethylenebis(2-(p-bromophenyl)-, dibromide (C32H30Br2N4)

Structural Information

Molecular Formula

SMILES

C1=CC=[N+]2C=C(N(C2=C1)CCCCCCN3C4=CC=CC=[N+]4C=C3C5=CC=C(C=C5)Br)C6=CC=C(C=C6)Br

InChI

InChI=1S/C32H30Br2N4/c33-27-15-11-25(12-16-27)29-23-35-19-7-3-9-31(35)37(29)21-5-1-2-6-22-38-30(26-13-17-28(34)18-14-26)24-36-20-8-4-10-32(36)38/h3-4,7-20,23-24H,1-2,5-6,21-22H2/q+2

InChIKey

KTJMFFLUINLVDM-UHFFFAOYSA-N

Compound name

2-(4-bromophenyl)-1-[6-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-4-ium-1-yl]hexyl]imidazo[1,2-a]pyridin-4-ium

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]+	629.09102	238.7
[M+Na]+	651.07296	247.1
[M-H]-	627.07646	250.3
[M+NH4]+	646.11756	246.4
[M+K]+	667.04690	224.5
[M+H-H2O]+	611.08100	247.0
[M+HCOO]-	673.08194	249.6
[M+CH3COO]-	687.09759	240.7
[M+Na-2H]-	649.05841	241.2
[M]+	628.08319	274.2
[M]-	628.08429	274.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

629.09102

238.7

[M+Na]+

651.07296

247.1

[M-H]-

627.07646

250.3

[M+NH4]+

646.11756

246.4

[M+K]+

667.04690

224.5

[M+H-H2O]+

611.08100

247.0

[M+HCOO]-

673.08194

249.6

[M+CH3COO]-

687.09759

240.7

[M+Na-2H]-

649.05841

241.2

[M]+

628.08319

274.2

[M]-

628.08429

274.2

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

1h-imidazo(1,2-a)pyridin-4-ium, 1,1'-hexamethylenebis(2-(p-bromophenyl)-, dibromide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe