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
3
Annotation Hits

0
References

32
Patents

223.0667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.