CID 3078458

S-(2-(2-((4-methoxyphenoxy)methyl)-3-thiazolidinyl)-2-oxoethyl) ethanethioate

Structural Information

Molecular Formula
C15H19NO4S2
SMILES
CC(=S)OCC(=O)N1CCS[C@H]1COC2=CC=C(C=C2)OC
InChI
InChI=1S/C15H19NO4S2/c1-11(21)19-9-14(17)16-7-8-22-15(16)10-20-13-5-3-12(18-2)4-6-13/h3-6,15H,7-10H2,1-2H3/t15-/m0/s1
InChIKey
RVIOIQJORAUHQC-HNNXBMFYSA-N
Compound name
O-[2-[(2S)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.07556 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.08284 176.6
[M+Na]+ 364.06478 185.0
[M+NH4]+ 359.10938 183.2
[M+K]+ 380.03872 178.1
[M-H]- 340.06828 177.9
[M+Na-2H]- 362.05023 179.3
[M]+ 341.07501 178.8
[M]- 341.07611 178.8
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.