CID 465164

183136-03-0

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₃S

SMILES

CCNC(=O)OCCN1C(=O)C2=CC=CC=C2S1

InChI

InChI=1S/C12H14N2O3S/c1-2-13-12(16)17-8-7-14-11(15)9-5-3-4-6-10(9)18-14/h3-6H,2,7-8H2,1H3,(H,13,16)

InChIKey

RVLGYHPWHGMHIQ-UHFFFAOYSA-N

Compound name

2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-ethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 266.0725 Da
Monoisotopic Mass: 1.5
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]+	267.079776	157.0
[M+Na]+	289.061718	166.9
[M-H]-	265.065224	161.2
[M+NH4]+	284.106323	175.9
[M+K]+	305.035658	163.4
[M+H-H2O]+	249.069760	150.5
[M+HCOO]-	311.070701	177.3
[M+CH3COO]-	325.086351	195.0
[M+Na-2H]-	287.047166	160.5
[M]+	266.07195142	164.1
[M]-	266.07304858	164.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.