PubChemLite - 1450933-43-3 (C49H33N)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC6=C5C7=CC=CC=C7C68C9=CC=CC=C9C1=CC=CC=C81

InChI

InChI=1S/C49H33N/c1-3-14-34(15-4-1)36-26-30-38(31-27-36)50(39-32-28-37(29-33-39)35-16-5-2-6-17-35)47-25-13-24-46-48(47)42-20-9-12-23-45(42)49(46)43-21-10-7-18-40(43)41-19-8-11-22-44(41)49/h1-33H

InChIKey

MJNGJYRNDATJHR-UHFFFAOYSA-N

Compound name

N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-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]+	636.26858	255.4
[M+Na]+	658.25052	260.4
[M-H]-	634.25402	274.2
[M+NH4]+	653.29512	262.4
[M+K]+	674.22446	249.3
[M+H-H2O]+	618.25856	237.8
[M+HCOO]-	680.25950	270.6
[M+CH3COO]-	694.27515	259.7
[M+Na-2H]-	656.23597	251.8
[M]+	635.26075	252.4
[M]-	635.26185	252.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

636.26858

255.4

[M+Na]+

658.25052

260.4

[M-H]-

634.25402

274.2

[M+NH4]+

653.29512

262.4

[M+K]+

674.22446

249.3

[M+H-H2O]+

618.25856

237.8

[M+HCOO]-

680.25950

270.6

[M+CH3COO]-

694.27515

259.7

[M+Na-2H]-

656.23597

251.8

[M]+

635.26075

252.4

[M]-

635.26185

252.4

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

1450933-43-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe