CID 2796220

Maybridge3_000052

Structural Information

Molecular Formula

C₁₃H₁₇ClN₂O₃S

SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)Cl

InChI

InChI=1S/C13H17ClN2O3S/c1-10(17)15-13-6-5-11(9-12(13)14)20(18,19)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H,15,17)

InChIKey

GVYSRNUIFWZDDX-UHFFFAOYSA-N

Compound name

N-(2-chloro-4-piperidin-1-ylsulfonylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 316.06485 Da
Monoisotopic Mass: 1.5
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]+	317.072126	168.2
[M+Na]+	339.054068	174.5
[M-H]-	315.057574	173.1
[M+NH4]+	334.098673	182.1
[M+K]+	355.028008	169.6
[M+H-H2O]+	299.062110	161.5
[M+HCOO]-	361.063051	177.2
[M+CH3COO]-	375.078701	201.8
[M+Na-2H]-	337.039516	169.7
[M]+	316.06430142	168.5
[M]-	316.06539858	168.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.