PubChemLite - Tris(4-carbazoyl-9-ylphenyl)amine (C54H36N4)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=C(C=C4)N(C5=CC=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C9=CC=C(C=C9)N1C2=CC=CC=C2C2=CC=CC=C21

InChI

InChI=1S/C54H36N4/c1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58/h1-36H

InChIKey

AWXGSYPUMWKTBR-UHFFFAOYSA-N

Compound name

4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)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]+	741.30128	253.3
[M+Na]+	763.28322	259.3
[M-H]-	739.28672	272.2
[M+NH4]+	758.32782	253.9
[M+K]+	779.25716	248.7
[M+H-H2O]+	723.29126	236.4
[M+HCOO]-	785.29220	266.7
[M+CH3COO]-	799.30785	256.7
[M+Na-2H]-	761.26867	250.0
[M]+	740.29345	255.7
[M]-	740.29455	255.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

741.30128

253.3

[M+Na]+

763.28322

259.3

[M-H]-

739.28672

272.2

[M+NH4]+

758.32782

253.9

[M+K]+

779.25716

248.7

[M+H-H2O]+

723.29126

236.4

[M+HCOO]-

785.29220

266.7

[M+CH3COO]-

799.30785

256.7

[M+Na-2H]-

761.26867

250.0

[M]+

740.29345

255.7

[M]-

740.29455

255.7

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

Tris(4-carbazoyl-9-ylphenyl)amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe