CID 3074741

161364-49-4

Structural Information

Molecular Formula
C14H19NO5S2
SMILES
COC1=CC=CC=C1OCC2N(CCS2=O)C(=O)CS(=O)C
InChI
InChI=1S/C14H19NO5S2/c1-19-11-5-3-4-6-12(11)20-9-14-15(7-8-22(14)18)13(16)10-21(2)17/h3-6,14H,7-10H2,1-2H3
InChIKey
IYIWYGYJTBWFFC-UHFFFAOYSA-N
Compound name
1-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.07047 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.07775 176.3
[M+Na]+ 368.05969 183.2
[M-H]- 344.06319 181.4
[M+NH4]+ 363.10429 190.7
[M+K]+ 384.03363 179.7
[M+H-H2O]+ 328.06773 169.8
[M+HCOO]- 390.06867 186.2
[M+CH3COO]- 404.08432 205.8
[M+Na-2H]- 366.04514 172.1
[M]+ 345.06992 182.2
[M]- 345.07102 182.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.