CID 83280

13268-54-7

Structural Information

Molecular Formula

C₁₆H₁₅NO₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC=CC3=CC=CC=C32

InChI

InChI=1S/C16H15NO2S/c1-13-8-10-15(11-9-13)20(18,19)17-12-4-6-14-5-2-3-7-16(14)17/h2-11H,12H2,1H3

InChIKey

NVYNAVAAFURMOU-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)sulfonyl-2H-quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 285.08234 Da
Monoisotopic Mass: 3.4
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]+	286.08962	162.5
[M+Na]+	308.07156	178.0
[M+NH4]+	303.11616	171.7
[M+K]+	324.04550	168.0
[M-H]-	284.07506	167.0
[M+Na-2H]-	306.05701	171.7
[M]+	285.08179	166.7
[M]-	285.08289	166.7

Literature stripe

literature stripe

Patent stripe

patents stripe