CID 43164159

1152859-34-1

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂S

SMILES

C1CS(=O)(=O)CCN1C2=CC=CC(=C2)N

InChI

InChI=1S/C10H14N2O2S/c11-9-2-1-3-10(8-9)12-4-6-15(13,14)7-5-12/h1-3,8H,4-7,11H2

InChIKey

AABYCBJQCOPZML-UHFFFAOYSA-N

Compound name

3-(1,1-dioxo-1,4-thiazinan-4-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 226.0776 Da
Monoisotopic Mass: 0.5
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]+	227.08488	146.6
[M+Na]+	249.06682	158.2
[M+NH4]+	244.11142	156.3
[M+K]+	265.04076	148.4
[M-H]-	225.07032	150.1
[M+Na-2H]-	247.05227	154.8
[M]+	226.07705	149.7
[M]-	226.07815	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe