PubChemLite - 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-n-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methyl]acetamide (C23H24ClF6N3O3S)

Structural Information

Molecular Formula

SMILES

C1CN(CCC1CNC(=O)CNS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H24ClF6N3O3S/c24-19-3-1-16(2-4-19)14-33-7-5-15(6-8-33)12-31-21(34)13-32-37(35,36)20-10-17(22(25,26)27)9-18(11-20)23(28,29)30/h1-4,9-11,15,32H,5-8,12-14H2,(H,31,34)

InChIKey

OGIVGKLDBNYEPI-UHFFFAOYSA-N

Compound name

2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide

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]+	572.12038	222.9
[M+Na]+	594.10232	227.8
[M-H]-	570.10582	222.2
[M+NH4]+	589.14692	225.8
[M+K]+	610.07626	219.5
[M+H-H2O]+	554.11036	208.9
[M+HCOO]-	616.11130	221.8
[M+CH3COO]-	630.12695	250.0
[M+Na-2H]-	592.08777	221.7
[M]+	571.11255	216.9
[M]-	571.11365	216.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

572.12038

222.9

[M+Na]+

594.10232

227.8

[M-H]-

570.10582

222.2

[M+NH4]+

589.14692

225.8

[M+K]+

610.07626

219.5

[M+H-H2O]+

554.11036

208.9

[M+HCOO]-

616.11130

221.8

[M+CH3COO]-

630.12695

250.0

[M+Na-2H]-

592.08777

221.7

[M]+

571.11255

216.9

[M]-

571.11365

216.9

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

2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-n-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methyl]acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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