CID 24837920

Ethanethioic acid, s-(2-(2-(2-(2-hydroxyphenyl)ethyl)-3-thiazolidinyl)-2-oxoethyl) ester

Structural Information

Molecular Formula
C15H19NO3S2
SMILES
CC(=S)OCC(=O)N1CCS[C@H]1CCC2=CC=CC=C2O
InChI
InChI=1S/C15H19NO3S2/c1-11(20)19-10-14(18)16-8-9-21-15(16)7-6-12-4-2-3-5-13(12)17/h2-5,15,17H,6-10H2,1H3/t15-/m0/s1
InChIKey
KBDGQNVSMGAMRX-HNNXBMFYSA-N
Compound name
O-[2-[(2S)-2-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.08063 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.08791 173.3
[M+Na]+ 348.06985 181.7
[M+NH4]+ 343.11445 180.2
[M+K]+ 364.04379 174.6
[M-H]- 324.07335 174.7
[M+Na-2H]- 346.05530 175.9
[M]+ 325.08008 175.5
[M]- 325.08118 175.5
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.