PubChemLite - N-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-n-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (C28H34F3N3O2)

Structural Information

Molecular Formula

SMILES

C1CN(CCC1CC2=CC=CC=C2)CCCN(C3=CC=CC=C3)C(=O)C4CC(=O)N(C4)CC(F)(F)F

InChI

InChI=1S/C28H34F3N3O2/c29-28(30,31)21-33-20-24(19-26(33)35)27(36)34(25-10-5-2-6-11-25)15-7-14-32-16-12-23(13-17-32)18-22-8-3-1-4-9-22/h1-6,8-11,23-24H,7,12-21H2

InChIKey

JTCPPDCVKQWJEV-UHFFFAOYSA-N

Compound name

N-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidine-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]+	502.26758	222.7
[M+Na]+	524.24952	222.9
[M-H]-	500.25302	227.6
[M+NH4]+	519.29412	227.2
[M+K]+	540.22346	216.6
[M+H-H2O]+	484.25756	207.6
[M+HCOO]-	546.25850	232.1
[M+CH3COO]-	560.27415	244.1
[M+Na-2H]-	522.23497	216.3
[M]+	501.25975	214.6
[M]-	501.26085	214.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

502.26758

222.7

[M+Na]+

524.24952

222.9

[M-H]-

500.25302

227.6

[M+NH4]+

519.29412

227.2

[M+K]+

540.22346

216.6

[M+H-H2O]+

484.25756

207.6

[M+HCOO]-

546.25850

232.1

[M+CH3COO]-

560.27415

244.1

[M+Na-2H]-

522.23497

216.3

[M]+

501.25975

214.6

[M]-

501.26085

214.6

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]-5-oxo-n-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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