CID 16226904

923743-03-7

Structural Information

Molecular Formula

C₁₄H₁₉ClN₂O₄S

SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCl

InChI

InChI=1S/C14H19ClN2O4S/c1-2-21-12-3-5-13(6-4-12)22(19,20)17-9-7-16(8-10-17)14(18)11-15/h3-6H,2,7-11H2,1H3

InChIKey

PENDNONREBJGCA-UHFFFAOYSA-N

Compound name

2-chloro-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 346.0754 Da
Monoisotopic Mass: 1.3
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]+	347.082676	175.1
[M+Na]+	369.064618	181.6
[M-H]-	345.068124	178.6
[M+NH4]+	364.109223	186.7
[M+K]+	385.038558	177.2
[M+H-H2O]+	329.072660	167.5
[M+HCOO]-	391.073601	181.8
[M+CH3COO]-	405.089251	204.6
[M+Na-2H]-	367.050066	175.8
[M]+	346.07485142	178.3
[M]-	346.07594858	178.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.