CID 1070159

16082-64-7

Structural Information

Molecular Formula

C₁₅H₁₃N₃O₂S

SMILES

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

InChI

InChI=1S/C15H13N3O2S/c16-12-7-1-2-9-14(12)21(19,20)18-13-8-3-5-11-6-4-10-17-15(11)13/h1-10,18H,16H2

InChIKey

NIOOKXAMJQVDGB-UHFFFAOYSA-N

Compound name

2-amino-N-quinolin-8-ylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 32
Patents: 299.07285 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]+	300.080126	164.3
[M+Na]+	322.062068	173.0
[M-H]-	298.065574	170.3
[M+NH4]+	317.106673	178.5
[M+K]+	338.036008	167.0
[M+H-H2O]+	282.070110	156.2
[M+HCOO]-	344.071051	182.3
[M+CH3COO]-	358.086701	175.5
[M+Na-2H]-	320.047516	172.3
[M]+	299.07230142	164.6
[M]-	299.07339858	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe