PubChemLite - N-[3-(4-benzylpiperidin-1-yl)propyl]-1-methyl-n-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (C28H37N3O2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC=C1)N(CCCN2CCC(CC2)CC3=CC=CC=C3)C(=O)C4CC(=O)N(C4)C

InChI

InChI=1S/C28H37N3O2/c1-22-8-6-11-26(18-22)31(28(33)25-20-27(32)29(2)21-25)15-7-14-30-16-12-24(13-17-30)19-23-9-4-3-5-10-23/h3-6,8-11,18,24-25H,7,12-17,19-21H2,1-2H3

InChIKey

OFZGJNAIOCFLEF-UHFFFAOYSA-N

Compound name

N-[3-(4-benzylpiperidin-1-yl)propyl]-1-methyl-N-(3-methylphenyl)-5-oxopyrrolidine-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]+	448.29585	214.0
[M+Na]+	470.27779	214.4
[M-H]-	446.28129	223.1
[M+NH4]+	465.32239	221.0
[M+K]+	486.25173	208.9
[M+H-H2O]+	430.28583	201.2
[M+HCOO]-	492.28677	228.1
[M+CH3COO]-	506.30242	237.9
[M+Na-2H]-	468.26324	207.4
[M]+	447.28802	209.8
[M]-	447.28912	209.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

448.29585

214.0

[M+Na]+

470.27779

214.4

[M-H]-

446.28129

223.1

[M+NH4]+

465.32239

221.0

[M+K]+

486.25173

208.9

[M+H-H2O]+

430.28583

201.2

[M+HCOO]-

492.28677

228.1

[M+CH3COO]-

506.30242

237.9

[M+Na-2H]-

468.26324

207.4

[M]+

447.28802

209.8

[M]-

447.28912

209.8

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-methyl-n-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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