CID 9589298

126826-67-3

Structural Information

Molecular Formula

C₁₃H₁₉N₃O₂S

SMILES

C/C(=N\S(=O)(=O)C1=CC=C(C=C1)N)/N2CCCCC2

InChI

InChI=1S/C13H19N3O2S/c1-11(16-9-3-2-4-10-16)15-19(17,18)13-7-5-12(14)6-8-13/h5-8H,2-4,9-10,14H2,1H3/b15-11+

InChIKey

XHRJHQOZQVPNDZ-RVDMUPIBSA-N

Compound name

(NE)-4-amino-N-(1-piperidin-1-ylethylidene)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.1198 Da
Monoisotopic Mass: 1.3
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]+	282.127076	163.2
[M+Na]+	304.109018	167.9
[M-H]-	280.112524	168.5
[M+NH4]+	299.153623	177.6
[M+K]+	320.082958	164.3
[M+H-H2O]+	264.117060	155.1
[M+HCOO]-	326.118001	178.5
[M+CH3COO]-	340.133651	201.0
[M+Na-2H]-	302.094466	165.6
[M]+	281.11925142	159.7
[M]-	281.12034858	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.