CID 3044910

Brn 0545267

Structural Information

Molecular Formula
C13H17NO4S
SMILES
COC1=CC(=CC(=C1)OCC2CCNC(=S)O2)OC
InChI
InChI=1S/C13H17NO4S/c1-15-10-5-11(16-2)7-12(6-10)17-8-9-3-4-14-13(19)18-9/h5-7,9H,3-4,8H2,1-2H3,(H,14,19)
InChIKey
FNFUVYSWFJHXEF-UHFFFAOYSA-N
Compound name
6-[(3,5-dimethoxyphenoxy)methyl]-1,3-oxazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.08783 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09511 162.9
[M+Na]+ 306.07705 174.6
[M+NH4]+ 301.12165 170.0
[M+K]+ 322.05099 167.1
[M-H]- 282.08055 166.5
[M+Na-2H]- 304.06250 167.3
[M]+ 283.08728 165.9
[M]- 283.08838 165.9
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.