PubChemLite - 2-(4-methyl-1-piperidyl)-1-[4-[2-(4-methyl-1-piperidyl)acetyl]fluoranthen-8-yl]ethanone (C32H36N2O2)

Structural Information

Molecular Formula

SMILES

CC1CCN(CC1)CC(=O)C2=CC3=C(C=C2)C4=CC=CC5=C(C=CC3=C54)C(=O)CN6CCC(CC6)C

InChI

InChI=1S/C32H36N2O2/c1-21-10-14-33(15-11-21)19-30(35)23-6-7-24-26-4-3-5-27-25(8-9-28(32(26)27)29(24)18-23)31(36)20-34-16-12-22(2)13-17-34/h3-9,18,21-22H,10-17,19-20H2,1-2H3

InChIKey

GONVMHRIFNCLCL-UHFFFAOYSA-N

Compound name

2-(4-methylpiperidin-1-yl)-1-[4-[2-(4-methylpiperidin-1-yl)acetyl]fluoranthen-8-yl]ethanone

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]+	481.28496	222.5
[M+Na]+	503.26690	224.0
[M-H]-	479.27040	228.5
[M+NH4]+	498.31150	230.7
[M+K]+	519.24084	216.1
[M+H-H2O]+	463.27494	209.6
[M+HCOO]-	525.27588	228.3
[M+CH3COO]-	539.29153	226.7
[M+Na-2H]-	501.25235	216.1
[M]+	480.27713	217.6
[M]-	480.27823	217.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

481.28496

222.5

[M+Na]+

503.26690

224.0

[M-H]-

479.27040

228.5

[M+NH4]+

498.31150

230.7

[M+K]+

519.24084

216.1

[M+H-H2O]+

463.27494

209.6

[M+HCOO]-

525.27588

228.3

[M+CH3COO]-

539.29153

226.7

[M+Na-2H]-

501.25235

216.1

[M]+

480.27713

217.6

[M]-

480.27823

217.6

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

2-(4-methyl-1-piperidyl)-1-[4-[2-(4-methyl-1-piperidyl)acetyl]fluoranthen-8-yl]ethanone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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