PubChemLite - N-[3-(4-benzylpiperidin-1-yl)propyl]-n-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (C27H33ClFN3O2)

Structural Information

Molecular Formula

SMILES

CN1CC(CC1=O)C(=O)N(CCCN2CCC(CC2)CC3=CC=CC=C3)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C27H33ClFN3O2/c1-30-19-22(17-26(30)33)27(34)32(23-8-9-25(29)24(28)18-23)13-5-12-31-14-10-21(11-15-31)16-20-6-3-2-4-7-20/h2-4,6-9,18,21-22H,5,10-17,19H2,1H3

InChIKey

BGOSGXDNBGSAJC-UHFFFAOYSA-N

Compound name

N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(3-chloro-4-fluorophenyl)-1-methyl-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]+	486.23183	221.0
[M+Na]+	508.21377	223.7
[M-H]-	484.21727	229.0
[M+NH4]+	503.25837	227.6
[M+K]+	524.18771	216.4
[M+H-H2O]+	468.22181	207.8
[M+HCOO]-	530.22275	229.8
[M+CH3COO]-	544.23840	242.1
[M+Na-2H]-	506.19922	213.1
[M]+	485.22400	218.5
[M]-	485.22510	218.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

486.23183

221.0

[M+Na]+

508.21377

223.7

[M-H]-

484.21727

229.0

[M+NH4]+

503.25837

227.6

[M+K]+

524.18771

216.4

[M+H-H2O]+

468.22181

207.8

[M+HCOO]-

530.22275

229.8

[M+CH3COO]-

544.23840

242.1

[M+Na-2H]-

506.19922

213.1

[M]+

485.22400

218.5

[M]-

485.22510

218.5

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]-n-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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