PubChemLite - 924899-38-7 (C49H30N2)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=C(C=CC(=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C9=C4C=C(C=C9)N1C2=CC=CC=C2C2=CC=CC=C21

InChI

InChI=1S/C49H30N2/c1-7-19-41-33(13-1)34-14-2-8-20-42(34)49(41)43-29-31(50-45-21-9-3-15-37(45)38-16-4-10-22-46(38)50)25-27-35(43)36-28-26-32(30-44(36)49)51-47-23-11-5-17-39(47)40-18-6-12-24-48(40)51/h1-30H

InChIKey

UDECBOWBCXTHEY-UHFFFAOYSA-N

Compound name

9-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)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]+	647.24818	237.7
[M+Na]+	669.23012	248.2
[M-H]-	645.23362	255.2
[M+NH4]+	664.27472	249.4
[M+K]+	685.20406	236.2
[M+H-H2O]+	629.23816	222.7
[M+HCOO]-	691.23910	251.1
[M+CH3COO]-	705.25475	243.9
[M+Na-2H]-	667.21557	232.0
[M]+	646.24035	241.7
[M]-	646.24145	241.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

647.24818

237.7

[M+Na]+

669.23012

248.2

[M-H]-

645.23362

255.2

[M+NH4]+

664.27472

249.4

[M+K]+

685.20406

236.2

[M+H-H2O]+

629.23816

222.7

[M+HCOO]-

691.23910

251.1

[M+CH3COO]-

705.25475

243.9

[M+Na-2H]-

667.21557

232.0

[M]+

646.24035

241.7

[M]-

646.24145

241.7

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

924899-38-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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