CID 9587107

126826-64-0

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C)/N2CCCCC2

InChI

InChI=1S/C14H20N2O2S/c1-12-6-8-14(9-7-12)19(17,18)15-13(2)16-10-4-3-5-11-16/h6-9H,3-5,10-11H2,1-2H3/b15-13+

InChIKey

RESSYQALSCBLIC-FYWRMAATSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 280.12454 Da
Monoisotopic Mass: 2.3
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]+	281.131816	163.8
[M+Na]+	303.113758	169.0
[M-H]-	279.117264	169.7
[M+NH4]+	298.158363	179.0
[M+K]+	319.087698	165.7
[M+H-H2O]+	263.121800	155.8
[M+HCOO]-	325.122741	178.4
[M+CH3COO]-	339.138391	199.5
[M+Na-2H]-	301.099206	166.1
[M]+	280.12399142	162.4
[M]-	280.12508858	162.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.