PubChemLite - 1450933-44-4 (C52H37N)

Structural Information

Molecular Formula

SMILES

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=CC=C4C5=CC=CC=C5)C6=CC=CC7=C6C8=CC=CC=C8C79C1=CC=CC=C1C1=CC=CC=C91)C

InChI

InChI=1S/C52H37N/c1-51(2)42-24-11-6-20-37(42)40-32-31-35(33-47(40)51)53(48-29-15-10-19-36(48)34-17-4-3-5-18-34)49-30-16-28-46-50(49)41-23-9-14-27-45(41)52(46)43-25-12-7-21-38(43)39-22-8-13-26-44(39)52/h3-33H,1-2H3

InChIKey

NYRQYDOTDXVFCO-UHFFFAOYSA-N

Compound name

N-(9,9-dimethylfluoren-2-yl)-N-(2-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]+	676.29988	259.8
[M+Na]+	698.28182	266.7
[M-H]-	674.28532	278.7
[M+NH4]+	693.32642	271.0
[M+K]+	714.25576	255.2
[M+H-H2O]+	658.28986	241.8
[M+HCOO]-	720.29080	273.0
[M+CH3COO]-	734.30645	264.2
[M+Na-2H]-	696.26727	252.9
[M]+	675.29205	259.5
[M]-	675.29315	259.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

676.29988

259.8

[M+Na]+

698.28182

266.7

[M-H]-

674.28532

278.7

[M+NH4]+

693.32642

271.0

[M+K]+

714.25576

255.2

[M+H-H2O]+

658.28986

241.8

[M+HCOO]-

720.29080

273.0

[M+CH3COO]-

734.30645

264.2

[M+Na-2H]-

696.26727

252.9

[M]+

675.29205

259.5

[M]-

675.29315

259.5

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

1450933-44-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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