PubChemLite - 1227195-24-5 (C46H32N4)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C2=CC=NC=C2)C(=C(C3=CC=C(C=C3)C4=CC=NC=C4)C5=CC=C(C=C5)C6=CC=NC=C6)C7=CC=C(C=C7)C8=CC=NC=C8

InChI

InChI=1S/C46H32N4/c1-9-41(10-2-33(1)37-17-25-47-26-18-37)45(42-11-3-34(4-12-42)38-19-27-48-28-20-38)46(43-13-5-35(6-14-43)39-21-29-49-30-22-39)44-15-7-36(8-16-44)40-23-31-50-32-24-40/h1-32H

InChIKey

DXNBXIFFCPRQAI-UHFFFAOYSA-N

Compound name

4-[4-[1,2,2-tris(4-pyridin-4-ylphenyl)ethenyl]phenyl]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]+	641.26998	258.5
[M+Na]+	663.25192	259.3
[M-H]-	639.25542	271.8
[M+NH4]+	658.29652	249.1
[M+K]+	679.22586	245.8
[M+H-H2O]+	623.25996	237.2
[M+HCOO]-	685.26090	267.6
[M+CH3COO]-	699.27655	258.5
[M+Na-2H]-	661.23737	258.1
[M]+	640.26215	250.0
[M]-	640.26325	250.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

641.26998

258.5

[M+Na]+

663.25192

259.3

[M-H]-

639.25542

271.8

[M+NH4]+

658.29652

249.1

[M+K]+

679.22586

245.8

[M+H-H2O]+

623.25996

237.2

[M+HCOO]-

685.26090

267.6

[M+CH3COO]-

699.27655

258.5

[M+Na-2H]-

661.23737

258.1

[M]+

640.26215

250.0

[M]-

640.26325

250.0

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

1227195-24-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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