CID 492280

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

Structural Information

Molecular Formula

C₂₄H₂₁N₃O₃S

SMILES

CC1=CC2=C(C=CN=C2C=C1)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C24H21N3O3S/c1-16-3-12-23-22(15-16)24(13-14-25-23)27-19-6-10-21(11-7-19)31(29,30)20-8-4-18(5-9-20)26-17(2)28/h3-15H,1-2H3,(H,25,27)(H,26,28)

InChIKey

IYTIDOICUYPZOH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 431.13037 Da
Monoisotopic Mass: 4.1
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]+	432.137646	201.8
[M+Na]+	454.119588	208.9
[M-H]-	430.123094	210.9
[M+NH4]+	449.164193	210.4
[M+K]+	470.093528	202.1
[M+H-H2O]+	414.127630	191.4
[M+HCOO]-	476.128571	217.7
[M+CH3COO]-	490.144221	210.4
[M+Na-2H]-	452.105036	206.9
[M]+	431.12982142	204.1
[M]-	431.13091858	204.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.