PubChemLite - [2,2'-bipyridine]-5,5'-dimethanamine, n,n,n',n'-tetrakis(2-pyridinylmethyl)- (C36H34N8)

Structural Information

Molecular Formula

SMILES

C1=CC=NC(=C1)CN(CC2=CN=C(C=C2)C3=NC=C(C=C3)CN(CC4=CC=CC=N4)CC5=CC=CC=N5)CC6=CC=CC=N6

InChI

InChI=1S/C36H34N8/c1-5-17-37-31(9-1)25-43(26-32-10-2-6-18-38-32)23-29-13-15-35(41-21-29)36-16-14-30(22-42-36)24-44(27-33-11-3-7-19-39-33)28-34-12-4-8-20-40-34/h1-22H,23-28H2

InChIKey

DDEMCLFTJUWMGL-UHFFFAOYSA-N

Compound name

1-[6-[5-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridin-2-yl]pyridin-3-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine

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]+	579.29793	236.5
[M+Na]+	601.27987	237.3
[M-H]-	577.28337	245.9
[M+NH4]+	596.32447	229.0
[M+K]+	617.25381	226.3
[M+H-H2O]+	561.28791	216.2
[M+HCOO]-	623.28885	250.4
[M+CH3COO]-	637.30450	238.5
[M+Na-2H]-	599.26532	242.7
[M]+	578.29010	234.6
[M]-	578.29120	234.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

579.29793

236.5

[M+Na]+

601.27987

237.3

[M-H]-

577.28337

245.9

[M+NH4]+

596.32447

229.0

[M+K]+

617.25381

226.3

[M+H-H2O]+

561.28791

216.2

[M+HCOO]-

623.28885

250.4

[M+CH3COO]-

637.30450

238.5

[M+Na-2H]-

599.26532

242.7

[M]+

578.29010

234.6

[M]-

578.29120

234.6

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

[2,2'-bipyridine]-5,5'-dimethanamine, n,n,n',n'-tetrakis(2-pyridinylmethyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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