PubChemLite - 1792219-00-1 (C58H43N)

Structural Information

Molecular Formula

SMILES

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=CC=C6C7=C8C9=CC=CC=C9C(C8=CC=C7)(C1=CC=CC=C1)C1=CC=CC=C1)C

InChI

InChI=1S/C58H43N/c1-57(2)51-29-15-12-25-46(51)47-38-37-45(39-54(47)57)59(44-35-33-41(34-36-44)40-19-6-3-7-20-40)55-32-17-14-26-48(55)49-28-18-31-53-56(49)50-27-13-16-30-52(50)58(53,42-21-8-4-9-22-42)43-23-10-5-11-24-43/h3-39H,1-2H3

InChIKey

YPAYPCILAPMEJG-UHFFFAOYSA-N

Compound name

N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-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]+	754.34682	282.1
[M+Na]+	776.32876	285.7
[M-H]-	752.33226	302.5
[M+NH4]+	771.37336	285.0
[M+K]+	792.30270	275.0
[M+H-H2O]+	736.33680	260.3
[M+HCOO]-	798.33774	294.2
[M+CH3COO]-	812.35339	283.6
[M+Na-2H]-	774.31421	274.3
[M]+	753.33899	278.4
[M]-	753.34009	278.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

754.34682

282.1

[M+Na]+

776.32876

285.7

[M-H]-

752.33226

302.5

[M+NH4]+

771.37336

285.0

[M+K]+

792.30270

275.0

[M+H-H2O]+

736.33680

260.3

[M+HCOO]-

798.33774

294.2

[M+CH3COO]-

812.35339

283.6

[M+Na-2H]-

774.31421

274.3

[M]+

753.33899

278.4

[M]-

753.34009

278.4

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

1792219-00-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe