CID 2115228

750607-84-2

Structural Information

Molecular Formula

C₁₈H₂₂N₂O₂S

SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C18H22N2O2S/c19-17-6-8-18(9-7-17)23(21,22)20-12-10-16(11-13-20)14-15-4-2-1-3-5-15/h1-9,16H,10-14,19H2

InChIKey

GSWWKMKEEYPCBQ-UHFFFAOYSA-N

Compound name

4-(4-benzylpiperidin-1-yl)sulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 330.1402 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

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]+	331.147476	176.6
[M+Na]+	353.129418	181.8
[M-H]-	329.132924	183.5
[M+NH4]+	348.174023	188.4
[M+K]+	369.103358	175.8
[M+H-H2O]+	313.137460	167.5
[M+HCOO]-	375.138401	190.0
[M+CH3COO]-	389.154051	207.0
[M+Na-2H]-	351.114866	178.6
[M]+	330.13965142	173.0
[M]-	330.14074858	173.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.