PubChemLite - N-[3-(4-benzylpiperidin-1-yl)propyl]-1-(cyclohexylmethyl)-5-oxo-n-phenylpyrrolidine-3-carboxamide (C33H45N3O2)

Structural Information

Molecular Formula

SMILES

C1CCC(CC1)CN2CC(CC2=O)C(=O)N(CCCN3CCC(CC3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H45N3O2/c37-32-24-30(26-35(32)25-29-13-6-2-7-14-29)33(38)36(31-15-8-3-9-16-31)20-10-19-34-21-17-28(18-22-34)23-27-11-4-1-5-12-27/h1,3-5,8-9,11-12,15-16,28-30H,2,6-7,10,13-14,17-26H2

InChIKey

AQQVWINXIGIGEN-UHFFFAOYSA-N

Compound name

N-[3-(4-benzylpiperidin-1-yl)propyl]-1-(cyclohexylmethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide

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]+	516.35848	229.8
[M+Na]+	538.34042	225.0
[M-H]-	514.34392	239.4
[M+NH4]+	533.38502	232.4
[M+K]+	554.31436	218.6
[M+H-H2O]+	498.34846	214.9
[M+HCOO]-	560.34940	238.9
[M+CH3COO]-	574.36505	232.2
[M+Na-2H]-	536.32587	220.6
[M]+	515.35065	219.6
[M]-	515.35175	219.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

516.35848

229.8

[M+Na]+

538.34042

225.0

[M-H]-

514.34392

239.4

[M+NH4]+

533.38502

232.4

[M+K]+

554.31436

218.6

[M+H-H2O]+

498.34846

214.9

[M+HCOO]-

560.34940

238.9

[M+CH3COO]-

574.36505

232.2

[M+Na-2H]-

536.32587

220.6

[M]+

515.35065

219.6

[M]-

515.35175

219.6

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

N-[3-(4-benzylpiperidin-1-yl)propyl]-1-(cyclohexylmethyl)-5-oxo-n-phenylpyrrolidine-3-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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