PubChemLite - 1-[2-[2-[9-phenanthryl-[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]phenyl]ethyl]piperidine (C41H46N2O)

Structural Information

Molecular Formula

SMILES

C1CCN(CC1)CCC2=CC=CC=C2C(C3=CC=C(C=C3)OCCN4CCCCC4)C5=CC6=CC=CC=C6C7=CC=CC=C75

InChI

InChI=1S/C41H46N2O/c1-9-24-42(25-10-1)28-23-32-13-3-6-16-37(32)41(33-19-21-35(22-20-33)44-30-29-43-26-11-2-12-27-43)40-31-34-14-4-5-15-36(34)38-17-7-8-18-39(38)40/h3-8,13-22,31,41H,1-2,9-12,23-30H2

InChIKey

CIPRDWSAISJNPG-UHFFFAOYSA-N

Compound name

1-[2-[2-[phenanthren-9-yl-[4-(2-piperidin-1-ylethoxy)phenyl]methyl]phenyl]ethyl]piperidine

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]+	583.36828	247.7
[M+Na]+	605.35022	245.3
[M-H]-	581.35372	256.4
[M+NH4]+	600.39482	246.5
[M+K]+	621.32416	234.8
[M+H-H2O]+	565.35826	228.7
[M+HCOO]-	627.35920	253.2
[M+CH3COO]-	641.37485	248.2
[M+Na-2H]-	603.33567	244.0
[M]+	582.36045	238.7
[M]-	582.36155	238.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

583.36828

247.7

[M+Na]+

605.35022

245.3

[M-H]-

581.35372

256.4

[M+NH4]+

600.39482

246.5

[M+K]+

621.32416

234.8

[M+H-H2O]+

565.35826

228.7

[M+HCOO]-

627.35920

253.2

[M+CH3COO]-

641.37485

248.2

[M+Na-2H]-

603.33567

244.0

[M]+

582.36045

238.7

[M]-

582.36155

238.7

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

1-[2-[2-[9-phenanthryl-[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]phenyl]ethyl]piperidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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