CID 130606

109628-27-5

Structural Information

Molecular Formula

C₁₇H₁₆N₂O₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)OC)C=CC=N3

InChI

InChI=1S/C17H16N2O3S/c1-12-5-7-15(8-6-12)23(20,21)19-16-11-14(22-2)10-13-4-3-9-18-17(13)16/h3-11,19H,1-2H3

InChIKey

HKRNYOZJJMFDBV-UHFFFAOYSA-N

Compound name

N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 56
References: 220
Patents: 328.08817 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]+	329.095446	173.9
[M+Na]+	351.077388	183.1
[M-H]-	327.080894	180.6
[M+NH4]+	346.121993	187.8
[M+K]+	367.051328	177.9
[M+H-H2O]+	311.085430	165.5
[M+HCOO]-	373.086371	191.0
[M+CH3COO]-	387.102021	208.6
[M+Na-2H]-	349.062836	180.4
[M]+	328.08762142	178.3
[M]-	328.08871858	178.3

Literature stripe

literature stripe

Patent stripe

patents stripe