CID 492281

N-6-chloro-4-quinaldyl-n-acetyl-dapsone

Structural Information

Molecular Formula

C₂₃H₁₈ClN₃O₃S

SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC=C3)Cl

InChI

InChI=1S/C23H18ClN3O3S/c1-15(28)26-17-3-7-19(8-4-17)31(29,30)20-9-5-18(6-10-20)27-23-12-13-25-22-11-2-16(24)14-21(22)23/h2-14H,1H3,(H,25,27)(H,26,28)

InChIKey

HIARHGXFGGWTHZ-UHFFFAOYSA-N

Compound name

N-[4-[4-[(6-chloroquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 451.07574 Da
Monoisotopic Mass: 4.3
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]+	452.083016	203.4
[M+Na]+	474.064958	211.6
[M-H]-	450.068464	212.6
[M+NH4]+	469.109563	212.2
[M+K]+	490.038898	204.0
[M+H-H2O]+	434.073000	193.9
[M+HCOO]-	496.073941	215.3
[M+CH3COO]-	510.089591	212.1
[M+Na-2H]-	472.050406	208.6
[M]+	451.07519142	208.0
[M]-	451.07628858	208.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.