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

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

InChI

InChI=1S/C28H34F3N3O2/c1-32-20-23(19-26(32)35)27(36)34(25-10-8-24(9-11-25)28(29,30)31)15-5-14-33-16-12-22(13-17-33)18-21-6-3-2-4-7-21/h2-4,6-11,22-23H,5,12-20H2,1H3

InChIKey

NMGXPPFCUDAQGV-UHFFFAOYSA-N

Compound name

N-[3-(4-benzylpiperidin-1-yl)propyl]-1-methyl-5-oxo-N-[4-(trifluoromethyl)phenyl]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	223.4
[M+Na]+	524.24952	224.6
[M-H]-	500.25302	228.7
[M+NH4]+	519.29412	228.2
[M+K]+	540.22346	218.2
[M+H-H2O]+	484.25756	208.5
[M+HCOO]-	546.25850	232.7
[M+CH3COO]-	560.27415	245.4
[M+Na-2H]-	522.23497	216.2
[M]+	501.25975	215.7
[M]-	501.26085	215.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

502.26758

223.4

[M+Na]+

524.24952

224.6

[M-H]-

500.25302

228.7

[M+NH4]+

519.29412

228.2

[M+K]+

540.22346

218.2

[M+H-H2O]+

484.25756

208.5

[M+HCOO]-

546.25850

232.7

[M+CH3COO]-

560.27415

245.4

[M+Na-2H]-

522.23497

216.2

[M]+

501.25975

215.7

[M]-

501.26085

215.7

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-5-oxo-n-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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