CID 26370384

4-(4-aminophenyl)thiomorpholine 1,1-dioxide

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂S

SMILES

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

InChI

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

InChIKey

PLQZCPNIYKUNPR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 161
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]+	227.084876	146.3
[M+Na]+	249.066818	154.1
[M-H]-	225.070324	151.1
[M+NH4]+	244.111423	164.9
[M+K]+	265.040758	150.3
[M+H-H2O]+	209.074860	139.5
[M+HCOO]-	271.075801	162.4
[M+CH3COO]-	285.091451	186.1
[M+Na-2H]-	247.052266	150.0
[M]+	226.07705142	143.4
[M]-	226.07814858	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe