CID 148612

Ethanesulfonanilide, p-(9-acridinylamino)-

Structural Information

Molecular Formula

C₂₁H₁₉N₃O₂S

SMILES

CCS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42

InChI

InChI=1S/C21H19N3O2S/c1-2-27(25,26)24-16-13-11-15(12-14-16)22-21-17-7-3-5-9-19(17)23-20-10-6-4-8-18(20)21/h3-14,24H,2H2,1H3,(H,22,23)

InChIKey

GUCUZGMANMLVPN-UHFFFAOYSA-N

Compound name

N-[4-(acridin-9-ylamino)phenyl]ethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 377.1198 Da
Monoisotopic Mass: 4.4
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]+	378.127076	185.3
[M+Na]+	400.109018	194.3
[M-H]-	376.112524	192.5
[M+NH4]+	395.153623	197.6
[M+K]+	416.082958	187.1
[M+H-H2O]+	360.117060	176.0
[M+HCOO]-	422.118001	202.9
[M+CH3COO]-	436.133651	195.4
[M+Na-2H]-	398.094466	195.1
[M]+	377.11925142	189.1
[M]-	377.12034858	189.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.