PubChemLite - 2,2',4,4',5,5'-hexaphenyl-1,2'-biimidazole (C42H30N4)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C2=C(N(C(=N2)C3=CC=CC=C3)C4(N=C(C(=N4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C42H30N4/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)45-42(44-37,36-29-17-6-18-30-36)46-40(34-25-13-4-14-26-34)39(33-23-11-3-12-24-33)43-41(46)35-27-15-5-16-28-35/h1-30H

InChIKey

GMIUUCWUOPOETN-UHFFFAOYSA-N

Compound name

2,4,5-triphenyl-1-(2,4,5-triphenylimidazol-2-yl)imidazole

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]+	591.25438	244.1
[M+Na]+	613.23632	249.7
[M-H]-	589.23982	261.7
[M+NH4]+	608.28092	243.6
[M+K]+	629.21026	237.6
[M+H-H2O]+	573.24436	225.3
[M+HCOO]-	635.24530	259.6
[M+CH3COO]-	649.26095	248.5
[M+Na-2H]-	611.22177	240.0
[M]+	590.24655	240.2
[M]-	590.24765	240.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

591.25438

244.1

[M+Na]+

613.23632

249.7

[M-H]-

589.23982

261.7

[M+NH4]+

608.28092

243.6

[M+K]+

629.21026

237.6

[M+H-H2O]+

573.24436

225.3

[M+HCOO]-

635.24530

259.6

[M+CH3COO]-

649.26095

248.5

[M+Na-2H]-

611.22177

240.0

[M]+

590.24655

240.2

[M]-

590.24765

240.2

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

2,2',4,4',5,5'-hexaphenyl-1,2'-biimidazole

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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