PubChemLite - 9-(3-(9h-carbazol-9-yl)phenyl)-9h-3,9'-bicarbazole (C42H27N3)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC(=CC=C4)N5C6=C(C=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97)C1=CC=CC=C15

InChI

InChI=1S/C42H27N3/c1-6-19-37-31(14-1)32-15-2-7-20-38(32)43(37)28-12-11-13-29(26-28)44-41-23-10-5-18-35(41)36-27-30(24-25-42(36)44)45-39-21-8-3-16-33(39)34-17-4-9-22-40(34)45/h1-27H

InChIKey

GNIAOMZNXOVYJU-UHFFFAOYSA-N

Compound name

3-carbazol-9-yl-9-(3-carbazol-9-ylphenyl)carbazole

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]+	574.22778	234.4
[M+Na]+	596.20972	245.8
[M-H]-	572.21322	250.1
[M+NH4]+	591.25432	243.2
[M+K]+	612.18366	233.8
[M+H-H2O]+	556.21776	220.5
[M+HCOO]-	618.21870	250.6
[M+CH3COO]-	632.23435	241.6
[M+Na-2H]-	594.19517	232.9
[M]+	573.21995	239.5
[M]-	573.22105	239.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

574.22778

234.4

[M+Na]+

596.20972

245.8

[M-H]-

572.21322

250.1

[M+NH4]+

591.25432

243.2

[M+K]+

612.18366

233.8

[M+H-H2O]+

556.21776

220.5

[M+HCOO]-

618.21870

250.6

[M+CH3COO]-

632.23435

241.6

[M+Na-2H]-

594.19517

232.9

[M]+

573.21995

239.5

[M]-

573.22105

239.5

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

9-(3-(9h-carbazol-9-yl)phenyl)-9h-3,9'-bicarbazole

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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