PubChemLite - 4,4'-(diphenylsilanediyl)bis(n,n-diphenylaniline) (C48H38N2Si)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C48H38N2Si/c1-7-19-39(20-8-1)49(40-21-9-2-10-22-40)43-31-35-47(36-32-43)51(45-27-15-5-16-28-45,46-29-17-6-18-30-46)48-37-33-44(34-38-48)50(41-23-11-3-12-24-41)42-25-13-4-14-26-42/h1-38H

InChIKey

OOIDMENPSANKCR-UHFFFAOYSA-N

Compound name

4-[diphenyl-[4-(N-phenylanilino)phenyl]silyl]-N,N-diphenylaniline

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]+	671.28768	259.6
[M+Na]+	693.26962	257.1
[M-H]-	669.27312	278.3
[M+NH4]+	688.31422	255.0
[M+K]+	709.24356	248.3
[M+H-H2O]+	653.27766	240.4
[M+HCOO]-	715.27860	275.7
[M+CH3COO]-	729.29425	261.0
[M+Na-2H]-	691.25507	260.9
[M]+	670.27985	252.1
[M]-	670.28095	252.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

671.28768

259.6

[M+Na]+

693.26962

257.1

[M-H]-

669.27312

278.3

[M+NH4]+

688.31422

255.0

[M+K]+

709.24356

248.3

[M+H-H2O]+

653.27766

240.4

[M+HCOO]-

715.27860

275.7

[M+CH3COO]-

729.29425

261.0

[M+Na-2H]-

691.25507

260.9

[M]+

670.27985

252.1

[M]-

670.28095

252.1

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

4,4'-(diphenylsilanediyl)bis(n,n-diphenylaniline)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe