CID 14029102

N-cyclohexylbenzothiazylsulfenamide

Structural Information

Molecular Formula

C₁₃H₁₆N₂OS₂

SMILES

C1CCC(CC1)NS(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H16N2OS2/c16-18(15-10-6-2-1-3-7-10)13-14-11-8-4-5-9-12(11)17-13/h4-5,8-10,15H,1-3,6-7H2

InChIKey

WGARMULIELDQEH-UHFFFAOYSA-N

Compound name

N-cyclohexyl-1,3-benzothiazole-2-sulfinamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 669
Patents: 280.0704 Da
Monoisotopic Mass: 4.1
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]+	281.07768	157.2
[M+Na]+	303.05962	164.8
[M-H]-	279.06312	162.9
[M+NH4]+	298.10422	175.1
[M+K]+	319.03356	159.5
[M+H-H2O]+	263.06766	150.9
[M+HCOO]-	325.06860	168.6
[M+CH3COO]-	339.08425	168.4
[M+Na-2H]-	301.04507	159.1
[M]+	280.06985	157.1
[M]-	280.07095	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe