PubChemLite - N-[3-(4-benzylpiperidin-1-yl)propyl]-n-[3,4-bis(trifluoromethyl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (C29H33F6N3O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C29H33F6N3O2/c1-36-19-22(17-26(36)39)27(40)38(23-8-9-24(28(30,31)32)25(18-23)29(33,34)35)13-5-12-37-14-10-21(11-15-37)16-20-6-3-2-4-7-20/h2-4,6-9,18,21-22H,5,10-17,19H2,1H3

InChIKey

YZGUEYGJOWFKNJ-UHFFFAOYSA-N

Compound name

N-[3-(4-benzylpiperidin-1-yl)propyl]-N-[3,4-bis(trifluoromethyl)phenyl]-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]+	570.25498	236.9
[M+Na]+	592.23692	239.3
[M-H]-	568.24042	238.8
[M+NH4]+	587.28152	239.3
[M+K]+	608.21086	232.2
[M+H-H2O]+	552.24496	220.2
[M+HCOO]-	614.24590	241.1
[M+CH3COO]-	628.26155	256.8
[M+Na-2H]-	590.22237	228.3
[M]+	569.24715	226.1
[M]-	569.24825	226.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

570.25498

236.9

[M+Na]+

592.23692

239.3

[M-H]-

568.24042

238.8

[M+NH4]+

587.28152

239.3

[M+K]+

608.21086

232.2

[M+H-H2O]+

552.24496

220.2

[M+HCOO]-

614.24590

241.1

[M+CH3COO]-

628.26155

256.8

[M+Na-2H]-

590.22237

228.3

[M]+

569.24715

226.1

[M]-

569.24825

226.1

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-[3,4-bis(trifluoromethyl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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