CID 3074752

161364-64-3

Structural Information

Molecular Formula
C14H17NO6S
SMILES
COC1=CC=CC=C1OCC2N(CCS2=O)C(=O)CC(=O)O
InChI
InChI=1S/C14H17NO6S/c1-20-10-4-2-3-5-11(10)21-9-13-15(6-7-22(13)19)12(16)8-14(17)18/h2-5,13H,6-9H2,1H3,(H,17,18)
InChIKey
DZFYSYCITSELEY-UHFFFAOYSA-N
Compound name
3-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.07767 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.08495 173.3
[M+Na]+ 350.06689 181.5
[M+NH4]+ 345.11149 178.0
[M+K]+ 366.04083 178.2
[M-H]- 326.07039 172.7
[M+Na-2H]- 348.05234 175.2
[M]+ 327.07712 174.2
[M]- 327.07822 174.2
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.