PubChemLite - 4,4',4''-tris[2-naphthyl(phenyl)amino]triphenylamine (C66H48N4)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)N(C2=CC=C(C=C2)N(C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC6=CC=CC=C6C=C5)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC1=CC=CC=C1C=C9)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C66H48N4/c1-4-22-55(23-5-1)68(64-31-28-49-16-10-13-19-52(49)46-64)61-40-34-58(35-41-61)67(59-36-42-62(43-37-59)69(56-24-6-2-7-25-56)65-32-29-50-17-11-14-20-53(50)47-65)60-38-44-63(45-39-60)70(57-26-8-3-9-27-57)66-33-30-51-18-12-15-21-54(51)48-66/h1-48H

InChIKey

KDOQMLIRFUVJNT-UHFFFAOYSA-N

Compound name

4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine

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]+	897.39518	275.7
[M+Na]+	919.37712	269.8
[M-H]-	895.38062	294.2
[M+NH4]+	914.42172	263.9
[M+K]+	935.35106	264.0
[M+H-H2O]+	879.38516	252.0
[M+HCOO]-	941.38610	286.9
[M+CH3COO]-	955.40175	272.5
[M+Na-2H]-	917.36257	277.2
[M]+	896.38735	268.1
[M]-	896.38845	268.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

897.39518

275.7

[M+Na]+

919.37712

269.8

[M-H]-

895.38062

294.2

[M+NH4]+

914.42172

263.9

[M+K]+

935.35106

264.0

[M+H-H2O]+

879.38516

252.0

[M+HCOO]-

941.38610

286.9

[M+CH3COO]-

955.40175

272.5

[M+Na-2H]-

917.36257

277.2

[M]+

896.38735

268.1

[M]-

896.38845

268.1

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

4,4',4''-tris[2-naphthyl(phenyl)amino]triphenylamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe