CID 286383

57159-76-9

Structural Information

Molecular Formula

C₂₄H₂₂N₂O₄S₂

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2C=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H22N2O4S2/c1-17-9-13-19(14-10-17)31(27,28)25-23-7-3-6-22-21(23)5-4-8-24(22)26-32(29,30)20-15-11-18(2)12-16-20/h3-16,25-26H,1-2H3

InChIKey

MIVPUXMNDCDKFL-UHFFFAOYSA-N

Compound name

4-methyl-N-[5-[(4-methylphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 17
Patents: 466.1021 Da
Monoisotopic Mass: 4.9
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]+	467.109376	207.9
[M+Na]+	489.091318	215.1
[M-H]-	465.094824	217.2
[M+NH4]+	484.135923	216.4
[M+K]+	505.065258	207.5
[M+H-H2O]+	449.099360	198.6
[M+HCOO]-	511.100301	219.6
[M+CH3COO]-	525.115951	234.3
[M+Na-2H]-	487.076766	214.8
[M]+	466.10155142	211.3
[M]-	466.10264858	211.3

Literature stripe

literature stripe

Patent stripe

patents stripe