PubChemLite - Schembl7461357 (C26H32ClN3O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C26H32ClN3O3/c1-28-19-20(18-24(28)31)25(32)30(23-6-3-2-4-7-23)15-5-14-29-16-12-26(33,13-17-29)21-8-10-22(27)11-9-21/h2-4,6-11,20,33H,5,12-19H2,1H3

InChIKey

ZRGNWBQFLHMKKL-UHFFFAOYSA-N

Compound name

N-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-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]+	470.22051	214.1
[M+Na]+	492.20245	216.8
[M-H]-	468.20595	222.6
[M+NH4]+	487.24705	222.6
[M+K]+	508.17639	210.7
[M+H-H2O]+	452.21049	202.8
[M+HCOO]-	514.21143	223.3
[M+CH3COO]-	528.22708	234.8
[M+Na-2H]-	490.18790	209.3
[M]+	469.21268	211.8
[M]-	469.21378	211.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

470.22051

214.1

[M+Na]+

492.20245

216.8

[M-H]-

468.20595

222.6

[M+NH4]+

487.24705

222.6

[M+K]+

508.17639

210.7

[M+H-H2O]+

452.21049

202.8

[M+HCOO]-

514.21143

223.3

[M+CH3COO]-

528.22708

234.8

[M+Na-2H]-

490.18790

209.3

[M]+

469.21268

211.8

[M]-

469.21378

211.8

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

Schembl7461357

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe