CID 82533

8-(tosylamino)quinoline

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C16H14N2O2S/c1-12-7-9-14(10-8-12)21(19,20)18-15-6-2-4-13-5-3-11-17-16(13)15/h2-11,18H,1H3

InChIKey

ZSMKPYXVUIWTCT-UHFFFAOYSA-N

Compound name

4-methyl-N-quinolin-8-ylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 21
References: 65
Patents: 298.0776 Da
Monoisotopic Mass: 2.1
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]+	299.08488	165.3
[M+Na]+	321.06682	180.3
[M+NH4]+	316.11142	174.0
[M+K]+	337.04076	170.6
[M-H]-	297.07032	170.1
[M+Na-2H]-	319.05227	175.1
[M]+	298.07705	169.5
[M]-	298.07815	169.5

Literature stripe

literature stripe

Patent stripe

patents stripe