PubChemLite - N-methyl-n-[2-methyl-2-phenyl-4-[1-(2-phenylacetyl)-3,3a,4,6,7,7a-hexahydro-2h-pyrrolo[3,2-c]pyridin-5-yl]butyl]benzenesulfonamide (C33H41N3O3S)

Structural Information

Molecular Formula

SMILES

CC(CCN1CCC2C(C1)CCN2C(=O)CC3=CC=CC=C3)(CN(C)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H41N3O3S/c1-33(29-14-8-4-9-15-29,26-34(2)40(38,39)30-16-10-5-11-17-30)20-23-35-21-19-31-28(25-35)18-22-36(31)32(37)24-27-12-6-3-7-13-27/h3-17,28,31H,18-26H2,1-2H3

InChIKey

ZPOGAAHIGIWSTJ-UHFFFAOYSA-N

Compound name

N-methyl-N-[2-methyl-2-phenyl-4-[1-(2-phenylacetyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]butyl]benzenesulfonamide

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]+	560.29415	235.8
[M+Na]+	582.27609	235.5
[M-H]-	558.27959	245.0
[M+NH4]+	577.32069	239.2
[M+K]+	598.25003	229.9
[M+H-H2O]+	542.28413	224.3
[M+HCOO]-	604.28507	242.1
[M+CH3COO]-	618.30072	252.6
[M+Na-2H]-	580.26154	234.1
[M]+	559.28632	234.8
[M]-	559.28742	234.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

560.29415

235.8

[M+Na]+

582.27609

235.5

[M-H]-

558.27959

245.0

[M+NH4]+

577.32069

239.2

[M+K]+

598.25003

229.9

[M+H-H2O]+

542.28413

224.3

[M+HCOO]-

604.28507

242.1

[M+CH3COO]-

618.30072

252.6

[M+Na-2H]-

580.26154

234.1

[M]+

559.28632

234.8

[M]-

559.28742

234.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-methyl-n-[2-methyl-2-phenyl-4-[1-(2-phenylacetyl)-3,3a,4,6,7,7a-hexahydro-2h-pyrrolo[3,2-c]pyridin-5-yl]butyl]benzenesulfonamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe