PubChemLite - N-[3-(4-benzylpiperidin-1-yl)propyl]-n-(2,3-dihydro-1h-inden-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide (C30H39N3O2)

Structural Information

Molecular Formula

SMILES

CN1CC(CC1=O)C(=O)N(CCCN2CCC(CC2)CC3=CC=CC=C3)C4=CC5=C(CCC5)C=C4

InChI

InChI=1S/C30H39N3O2/c1-31-22-27(21-29(31)34)30(35)33(28-12-11-25-9-5-10-26(25)20-28)16-6-15-32-17-13-24(14-18-32)19-23-7-3-2-4-8-23/h2-4,7-8,11-12,20,24,27H,5-6,9-10,13-19,21-22H2,1H3

InChIKey

MSNFAJGQMGFTCB-UHFFFAOYSA-N

Compound name

N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-5-yl)-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]+	474.31151	219.5
[M+Na]+	496.29345	218.9
[M-H]-	472.29695	229.3
[M+NH4]+	491.33805	228.0
[M+K]+	512.26739	213.1
[M+H-H2O]+	456.30149	207.5
[M+HCOO]-	518.30243	232.0
[M+CH3COO]-	532.31808	224.7
[M+Na-2H]-	494.27890	210.7
[M]+	473.30368	214.1
[M]-	473.30478	214.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

474.31151

219.5

[M+Na]+

496.29345

218.9

[M-H]-

472.29695

229.3

[M+NH4]+

491.33805

228.0

[M+K]+

512.26739

213.1

[M+H-H2O]+

456.30149

207.5

[M+HCOO]-

518.30243

232.0

[M+CH3COO]-

532.31808

224.7

[M+Na-2H]-

494.27890

210.7

[M]+

473.30368

214.1

[M]-

473.30478

214.1

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-(2,3-dihydro-1h-inden-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe