PubChemLite - 4,4'-bis[4-(di-p-tolylamino)styryl]biphenyl (C56H48N2)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)/C=C/C3=CC=C(C=C3)C4=CC=C(C=C4)/C=C/C5=CC=C(C=C5)N(C6=CC=C(C=C6)C)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C

InChI

InChI=1S/C56H48N2/c1-41-5-29-51(30-6-41)57(52-31-7-42(2)8-32-52)55-37-21-47(22-38-55)15-13-45-17-25-49(26-18-45)50-27-19-46(20-28-50)14-16-48-23-39-56(40-24-48)58(53-33-9-43(3)10-34-53)54-35-11-44(4)12-36-54/h5-40H,1-4H3/b15-13+,16-14+

InChIKey

OSQXTXTYKAEHQV-WXUKJITCSA-N

Compound name

4-methyl-N-[4-[(E)-2-[4-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline

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]+	749.38908	295.3
[M+Na]+	771.37102	294.6
[M-H]-	747.37452	314.9
[M+NH4]+	766.41562	288.3
[M+K]+	787.34496	284.1
[M+H-H2O]+	731.37906	273.9
[M+HCOO]-	793.38000	310.8
[M+CH3COO]-	807.39565	295.2
[M+Na-2H]-	769.35647	287.5
[M]+	748.38125	290.9
[M]-	748.38235	290.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

749.38908

295.3

[M+Na]+

771.37102

294.6

[M-H]-

747.37452

314.9

[M+NH4]+

766.41562

288.3

[M+K]+

787.34496

284.1

[M+H-H2O]+

731.37906

273.9

[M+HCOO]-

793.38000

310.8

[M+CH3COO]-

807.39565

295.2

[M+Na-2H]-

769.35647

287.5

[M]+

748.38125

290.9

[M]-

748.38235

290.9

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

4,4'-bis[4-(di-p-tolylamino)styryl]biphenyl

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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