PubChemLite - 2423014-10-0 (C58H41N)

Structural Information

Molecular Formula

SMILES

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC5=C(C=C4)C6=CC=CC=C6C57C8=CC=CC=C8C9=C7C=C(C=C9)C1=CC=CC=C1)C1=CC=CC=C1C1=CC=CC=C1)C

InChI

InChI=1S/C58H41N/c1-57(2)50-25-13-9-22-44(50)47-33-30-41(36-53(47)57)59(56-28-16-12-21-43(56)39-19-7-4-8-20-39)42-31-34-49-46-24-11-15-27-52(46)58(55(49)37-42)51-26-14-10-23-45(51)48-32-29-40(35-54(48)58)38-17-5-3-6-18-38/h3-37H,1-2H3

InChIKey

LZFLJGDUWIAEMH-UHFFFAOYSA-N

Compound name

N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine

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]+	752.33118	270.9
[M+Na]+	774.31312	276.2
[M-H]-	750.31662	290.8
[M+NH4]+	769.35772	278.1
[M+K]+	790.28706	265.1
[M+H-H2O]+	734.32116	250.9
[M+HCOO]-	796.32210	282.2
[M+CH3COO]-	810.33775	273.5
[M+Na-2H]-	772.29857	262.0
[M]+	751.32335	269.2
[M]-	751.32445	269.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

752.33118

270.9

[M+Na]+

774.31312

276.2

[M-H]-

750.31662

290.8

[M+NH4]+

769.35772

278.1

[M+K]+

790.28706

265.1

[M+H-H2O]+

734.32116

250.9

[M+HCOO]-

796.32210

282.2

[M+CH3COO]-

810.33775

273.5

[M+Na-2H]-

772.29857

262.0

[M]+

751.32335

269.2

[M]-

751.32445

269.2

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

2423014-10-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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