CID 102171410

Dtxsid301225682

Structural Information

Molecular Formula

C₁₆H₁₅N₃O₂S

SMILES

CC1=NC2=C(C=CC=C2NS(=O)(=O)C3=CC=C(C=C3)N)C=C1

InChI

InChI=1S/C16H15N3O2S/c1-11-5-6-12-3-2-4-15(16(12)18-11)19-22(20,21)14-9-7-13(17)8-10-14/h2-10,19H,17H2,1H3

InChIKey

KNNBCKCRMMYSKD-UHFFFAOYSA-N

Compound name

4-amino-N-(2-methylquinolin-8-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 313.0885 Da
Monoisotopic Mass: 2.4
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]+	314.095776	169.4
[M+Na]+	336.077718	178.5
[M-H]-	312.081224	175.7
[M+NH4]+	331.122323	183.4
[M+K]+	352.051658	172.4
[M+H-H2O]+	296.085760	161.3
[M+HCOO]-	358.086701	187.0
[M+CH3COO]-	372.102351	208.0
[M+Na-2H]-	334.063166	176.2
[M]+	313.08795142	170.5
[M]-	313.08904858	170.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.