CID 7230

N-tert-butyl-2-benzothiazolesulfenamide

Structural Information

Molecular Formula

C₁₁H₁₄N₂S₂

SMILES

CC(C)(C)NSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C11H14N2S2/c1-11(2,3)13-15-10-12-8-6-4-5-7-9(8)14-10/h4-7,13H,1-3H3

InChIKey

IUJLOAKJZQBENM-UHFFFAOYSA-N

Compound name

N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 22958
Patents: 238.05984 Da
Monoisotopic Mass: 3.4
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]+	239.06712	151.2
[M+Na]+	261.04906	162.9
[M+NH4]+	256.09366	161.1
[M+K]+	277.02300	154.0
[M-H]-	237.05256	154.2
[M+Na-2H]-	259.03451	157.0
[M]+	238.05929	154.8
[M]-	238.06039	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe