CID 135647

Methanesulfonanilide, 2'-(9-acridinylamino)-n-methyl-, hydrochloride

Structural Information

Molecular Formula

C₂₁H₁₉N₃O₂S

SMILES

CN(C1=CC=CC=C1NC2=C3C=CC=CC3=NC4=CC=CC=C42)S(=O)(=O)C

InChI

InChI=1S/C21H19N3O2S/c1-24(27(2,25)26)20-14-8-7-13-19(20)23-21-15-9-3-5-11-17(15)22-18-12-6-4-10-16(18)21/h3-14H,1-2H3,(H,22,23)

InChIKey

YRKAETCECNTJBU-UHFFFAOYSA-N

Compound name

N-[2-(acridin-9-ylamino)phenyl]-N-methylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 377.1198 Da
Monoisotopic Mass: 4.2
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]+	378.127076	186.4
[M+Na]+	400.109018	195.3
[M-H]-	376.112524	194.9
[M+NH4]+	395.153623	199.2
[M+K]+	416.082958	189.5
[M+H-H2O]+	360.117060	176.8
[M+HCOO]-	422.118001	204.3
[M+CH3COO]-	436.133651	196.9
[M+Na-2H]-	398.094466	195.3
[M]+	377.11925142	191.3
[M]-	377.12034858	191.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.