CID 985373

324067-21-2

Structural Information

Molecular Formula

C₁₇H₁₉ClN₂O₂S

SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H19ClN2O2S/c18-16-6-8-17(9-7-16)23(21,22)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14H2

InChIKey

CJZZSVCCBZWMCS-UHFFFAOYSA-N

Compound name

1-benzyl-4-(4-chlorophenyl)sulfonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 350.08557 Da
Monoisotopic Mass: 3.0
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]+	351.09285	178.8
[M+Na]+	373.07479	193.6
[M+NH4]+	368.11939	186.9
[M+K]+	389.04873	183.4
[M-H]-	349.07829	183.6
[M+Na-2H]-	371.06024	188.1
[M]+	350.08502	183.1
[M]-	350.08612	183.1

Literature stripe

literature stripe

Patent stripe

patents stripe