CID 151506

10374-76-2

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂S

SMILES

CS(=O)(=O)NC1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C10H10N2O2S/c1-15(13,14)12-9-6-2-4-8-5-3-7-11-10(8)9/h2-7,12H,1H3

InChIKey

XYEPUTZVZYUENX-UHFFFAOYSA-N

Compound name

N-quinolin-8-ylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 18
Patents: 222.0463 Da
Monoisotopic Mass: 1.6
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]+	223.053576	144.1
[M+Na]+	245.035518	153.7
[M-H]-	221.039024	147.8
[M+NH4]+	240.080123	162.5
[M+K]+	261.009458	149.8
[M+H-H2O]+	205.043560	137.7
[M+HCOO]-	267.044501	162.0
[M+CH3COO]-	281.060151	187.0
[M+Na-2H]-	243.020966	152.7
[M]+	222.04575142	146.6
[M]-	222.04684858	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe