PubChemLite - 952431-34-4 (C66H48N2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)C7=CC=C(C=C7)N(C8=CC=C(C=C8)C9=CC=CC=C9)C1=CC=C(C=C1)C1=CC=CC=C1

InChI

InChI=1S/C66H48N2/c1-5-13-49(14-6-1)55-25-37-61(38-26-55)67(62-39-27-56(28-40-62)50-15-7-2-8-16-50)65-45-33-59(34-46-65)53-21-23-54(24-22-53)60-35-47-66(48-36-60)68(63-41-29-57(30-42-63)51-17-9-3-10-18-51)64-43-31-58(32-44-64)52-19-11-4-12-20-52/h1-48H

InChIKey

FRJIRSGTDSDPTM-UHFFFAOYSA-N

Compound name

4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]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]+	869.38908	319.6
[M+Na]+	891.37102	343.6
[M+NH4]+	886.41562	327.2
[M+K]+	907.34496	323.6
[M-H]-	867.37452	342.2
[M+Na-2H]-	889.35647	339.4
[M]+	868.38125	330.5
[M]-	868.38235	330.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

869.38908

319.6

[M+Na]+

891.37102

343.6

[M+NH4]+

886.41562

327.2

[M+K]+

907.34496

323.6

[M-H]-

867.37452

342.2

[M+Na-2H]-

889.35647

339.4

[M]+

868.38125

330.5

[M]-

868.38235

330.5

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

952431-34-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe