PubChemLite - [1,1'-biphenyl]-4,4'-dimethanamine, n,n,n',n'-tetrakis(2-pyridinylmethyl)- (C38H36N6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C38H36N6/c1-5-21-39-35(9-1)27-43(28-36-10-2-6-22-40-36)25-31-13-17-33(18-14-31)34-19-15-32(16-20-34)26-44(29-37-11-3-7-23-41-37)30-38-12-4-8-24-42-38/h1-24H,25-30H2

InChIKey

UEDSJAAHYSTFIL-UHFFFAOYSA-N

Compound name

1-[4-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]phenyl]-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]+	577.30748	240.3
[M+Na]+	599.28942	240.2
[M-H]-	575.29292	251.8
[M+NH4]+	594.33402	235.4
[M+K]+	615.26336	230.1
[M+H-H2O]+	559.29746	220.6
[M+HCOO]-	621.29840	256.4
[M+CH3COO]-	635.31405	242.8
[M+Na-2H]-	597.27487	244.5
[M]+	576.29965	238.1
[M]-	576.30075	238.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

577.30748

240.3

[M+Na]+

599.28942

240.2

[M-H]-

575.29292

251.8

[M+NH4]+

594.33402

235.4

[M+K]+

615.26336

230.1

[M+H-H2O]+

559.29746

220.6

[M+HCOO]-

621.29840

256.4

[M+CH3COO]-

635.31405

242.8

[M+Na-2H]-

597.27487

244.5

[M]+

576.29965

238.1

[M]-

576.30075

238.1

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

[1,1'-biphenyl]-4,4'-dimethanamine, n,n,n',n'-tetrakis(2-pyridinylmethyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe