CID 3033964

Tifemoxone

Structural Information

Molecular Formula

C₁₁H₁₃NO₂S

SMILES

C1CNC(=S)OC1COC2=CC=CC=C2

InChI

InChI=1S/C11H13NO2S/c15-11-12-7-6-10(14-11)8-13-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,15)

InChIKey

NIPRGEWHJUTVQK-UHFFFAOYSA-N

Compound name

6-(phenoxymethyl)-1,3-oxazinane-2-thione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 33
Patents: 223.0667 Da
Monoisotopic Mass: 2.4
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]+	224.07398	146.9
[M+Na]+	246.05592	153.0
[M-H]-	222.05942	151.0
[M+NH4]+	241.10052	162.1
[M+K]+	262.02986	149.9
[M+H-H2O]+	206.06396	139.7
[M+HCOO]-	268.06490	160.1
[M+CH3COO]-	282.08055	182.2
[M+Na-2H]-	244.04137	150.2
[M]+	223.06615	144.7
[M]-	223.06725	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe