CID 3074757

161364-70-1

Structural Information

Molecular Formula
C16H21NO5S
SMILES
CC(C)(C(=O)N1CCSC1COC2=CC=CC=C2OC)C(=O)O
InChI
InChI=1S/C16H21NO5S/c1-16(2,15(19)20)14(18)17-8-9-23-13(17)10-22-12-7-5-4-6-11(12)21-3/h4-7,13H,8-10H2,1-3H3,(H,19,20)
InChIKey
ZAXOTPWRDKTQQT-UHFFFAOYSA-N
Compound name
3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.11404 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12132 178.4
[M+Na]+ 362.10326 185.9
[M+NH4]+ 357.14786 183.4
[M+K]+ 378.07720 182.9
[M-H]- 338.10676 177.8
[M+Na-2H]- 360.08871 180.7
[M]+ 339.11349 179.4
[M]- 339.11459 179.4
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.