CID 703957

1-(naphthalene-2-sulfonyl)-piperazine

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: 152
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]+	277.10054	159.8
[M+Na]+	299.08248	172.6
[M+NH4]+	294.12708	167.9
[M+K]+	315.05642	164.0
[M-H]-	275.08598	162.4
[M+Na-2H]-	297.06793	166.9
[M]+	276.09271	162.8
[M]-	276.09381	162.8

Literature stripe

literature stripe

Patent stripe

patents stripe