PubChemLite - 1450933-88-6 (C52H37N)

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=CC7=C6C8=CC=CC=C8C79C1=CC=CC=C1C1=CC=CC=C91)C

InChI

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

InChIKey

ALEQYPDEUQMBHJ-UHFFFAOYSA-N

Compound name

N-(9,9-dimethylfluoren-2-yl)-N-(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]+	676.29988	269.9
[M+Na]+	698.28182	291.4
[M+NH4]+	693.32642	284.4
[M+K]+	714.25576	276.0
[M-H]-	674.28532	285.4
[M+Na-2H]-	696.26727	281.0
[M]+	675.29205	278.7
[M]-	675.29315	278.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

676.29988

269.9

[M+Na]+

698.28182

291.4

[M+NH4]+

693.32642

284.4

[M+K]+

714.25576

276.0

[M-H]-

674.28532

285.4

[M+Na-2H]-

696.26727

281.0

[M]+

675.29205

278.7

[M]-

675.29315

278.7

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

1450933-88-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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