PubChemLite - 1365840-52-3 (C60H53N)

Structural Information

Molecular Formula

SMILES

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC5=C(C=C4)C6=CC=CC=C6C57C8=C(C=CC(=C8)C(C)(C)C)C9=C7C=C(C=C9)C(C)(C)C)C1=CC=CC=C1C1=CC=CC=C1)C

InChI

InChI=1S/C60H53N/c1-57(2,3)39-26-30-47-48-31-27-40(58(4,5)6)35-54(48)60(53(47)34-39)51-24-16-13-22-45(51)49-33-29-42(37-55(49)60)61(56-25-17-14-20-43(56)38-18-10-9-11-19-38)41-28-32-46-44-21-12-15-23-50(44)59(7,8)52(46)36-41/h9-37H,1-8H3

InChIKey

YOGPJFSYRIXXKO-UHFFFAOYSA-N

Compound name

2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-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]+	788.42508	292.2
[M+Na]+	810.40702	296.8
[M-H]-	786.41052	310.1
[M+NH4]+	805.45162	299.6
[M+K]+	826.38096	287.2
[M+H-H2O]+	770.41506	274.6
[M+HCOO]-	832.41600	299.2
[M+CH3COO]-	846.43165	293.8
[M+Na-2H]-	808.39247	283.5
[M]+	787.41725	293.3
[M]-	787.41835	293.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

788.42508

292.2

[M+Na]+

810.40702

296.8

[M-H]-

786.41052

310.1

[M+NH4]+

805.45162

299.6

[M+K]+

826.38096

287.2

[M+H-H2O]+

770.41506

274.6

[M+HCOO]-

832.41600

299.2

[M+CH3COO]-

846.43165

293.8

[M+Na-2H]-

808.39247

283.5

[M]+

787.41725

293.3

[M]-

787.41835

293.3

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

1365840-52-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe