CID 9578583

27049-60-1

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₂S

SMILES

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

InChI

InChI=1S/C13H18N2O2S/c1-12-5-7-13(8-6-12)18(16,17)14-11-15-9-3-2-4-10-15/h5-8,11H,2-4,9-10H2,1H3/b14-11+

InChIKey

ZZLIYYNDWYWBNB-SDNWHVSQSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.1089 Da
Monoisotopic Mass: 2.4
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]+	267.116176	159.6
[M+Na]+	289.098118	165.4
[M-H]-	265.101624	165.5
[M+NH4]+	284.142723	175.3
[M+K]+	305.072058	161.8
[M+H-H2O]+	249.106160	151.5
[M+HCOO]-	311.107101	175.5
[M+CH3COO]-	325.122751	196.4
[M+Na-2H]-	287.083566	163.2
[M]+	266.10835142	158.4
[M]-	266.10944858	158.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.