PubChemLite - N-[3-(4-benzhydryl-1-piperidyl)propyl]-1-methyl-5-oxo-n-phenyl-pyrrolidine-3-carboxamide (C33H39N3O2)

Structural Information

Molecular Formula

SMILES

CN1CC(CC1=O)C(=O)N(CCCN2CCC(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H39N3O2/c1-34-25-29(24-31(34)37)33(38)36(30-16-9-4-10-17-30)21-11-20-35-22-18-28(19-23-35)32(26-12-5-2-6-13-26)27-14-7-3-8-15-27/h2-10,12-17,28-29,32H,11,18-25H2,1H3

InChIKey

VUGKVNCKPNYASI-UHFFFAOYSA-N

Compound name

N-[3-(4-benzhydrylpiperidin-1-yl)propyl]-1-methyl-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]+	510.31151	227.1
[M+Na]+	532.29345	225.0
[M-H]-	508.29695	238.2
[M+NH4]+	527.33805	230.2
[M+K]+	548.26739	218.7
[M+H-H2O]+	492.30149	212.6
[M+HCOO]-	554.30243	239.5
[M+CH3COO]-	568.31808	231.0
[M+Na-2H]-	530.27890	220.0
[M]+	509.30368	220.6
[M]-	509.30478	220.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

510.31151

227.1

[M+Na]+

532.29345

225.0

[M-H]-

508.29695

238.2

[M+NH4]+

527.33805

230.2

[M+K]+

548.26739

218.7

[M+H-H2O]+

492.30149

212.6

[M+HCOO]-

554.30243

239.5

[M+CH3COO]-

568.31808

231.0

[M+Na-2H]-

530.27890

220.0

[M]+

509.30368

220.6

[M]-

509.30478

220.6

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

N-[3-(4-benzhydryl-1-piperidyl)propyl]-1-methyl-5-oxo-n-phenyl-pyrrolidine-3-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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