CID 9589299

126826-68-4

Structural Information

Molecular Formula

C₁₄H₂₁N₃O₂S

SMILES

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

InChI

InChI=1S/C14H21N3O2S/c1-2-14(17-10-4-3-5-11-17)16-20(18,19)13-8-6-12(15)7-9-13/h6-9H,2-5,10-11,15H2,1H3/b16-14+

InChIKey

FKYQYLAJEIGFCB-JQIJEIRASA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 295.13544 Da
Monoisotopic Mass: 1.8
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]+	296.142716	167.5
[M+Na]+	318.124658	171.7
[M-H]-	294.128164	172.6
[M+NH4]+	313.169263	181.3
[M+K]+	334.098598	167.9
[M+H-H2O]+	278.132700	159.1
[M+HCOO]-	340.133641	182.4
[M+CH3COO]-	354.149291	204.0
[M+Na-2H]-	316.110106	169.4
[M]+	295.13489142	164.3
[M]-	295.13598858	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.