CID 703957

179051-76-4

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₂S

SMILES

C1CN(CCN1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C14H16N2O2S/c17-19(18,16-9-7-15-8-10-16)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11,15H,7-10H2

InChIKey

OJWPAXRMRPPQBG-UHFFFAOYSA-N

Compound name

1-naphthalen-2-ylsulfonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 149
Patents: 276.09326 Da
Monoisotopic Mass: 0.4
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]+	277.100536	160.7
[M+Na]+	299.082478	167.3
[M-H]-	275.085984	163.3
[M+NH4]+	294.127083	174.4
[M+K]+	315.056418	161.6
[M+H-H2O]+	259.090520	152.7
[M+HCOO]-	321.091461	170.8
[M+CH3COO]-	335.107111	170.4
[M+Na-2H]-	297.067926	166.0
[M]+	276.09271142	157.1
[M]-	276.09380858	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe