CID 161851

35060-08-3

Structural Information

Molecular Formula

C₁₄H₁₉N₃O₂S

SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCN

InChI

InChI=1S/C14H19N3O2S/c1-17(2)13-7-3-6-12-11(13)5-4-8-14(12)20(18,19)16-10-9-15/h3-8,16H,9-10,15H2,1-2H3

InChIKey

CSJXLKVNKAXFSI-UHFFFAOYSA-N

Compound name

N-(2-aminoethyl)-5-(dimethylamino)naphthalene-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 911
Patents: 293.1198 Da
Monoisotopic Mass: 1.5
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]+	294.127076	164.1
[M+Na]+	316.109018	170.8
[M-H]-	292.112524	169.3
[M+NH4]+	311.153623	180.6
[M+K]+	332.082958	167.2
[M+H-H2O]+	276.117060	156.8
[M+HCOO]-	338.118001	183.5
[M+CH3COO]-	352.133651	210.6
[M+Na-2H]-	314.094466	169.6
[M]+	293.11925142	166.5
[M]-	293.12034858	166.5

Literature stripe

literature stripe

Patent stripe

patents stripe