CID 24837923

S-(2-(2-((2-methylphenoxy)methyl)-3-thiazolidinyl)-2-oxoethyl) ethanethioate

Structural Information

Molecular Formula
C15H19NO3S2
SMILES
CC1=CC=CC=C1OC[C@H]2N(CCS2)C(=O)COC(=S)C
InChI
InChI=1S/C15H19NO3S2/c1-11-5-3-4-6-13(11)19-10-15-16(7-8-21-15)14(17)9-18-12(2)20/h3-6,15H,7-10H2,1-2H3/t15-/m0/s1
InChIKey
QBSXDIAKZBQPPQ-HNNXBMFYSA-N
Compound name
O-[2-[(2S)-2-[(2-methylphenoxy)methyl]-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

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.08791 173.5
[M+Na]+ 348.06985 182.4
[M+NH4]+ 343.11445 180.7
[M+K]+ 364.04379 175.0
[M-H]- 324.07335 175.3
[M+Na-2H]- 346.05530 176.6
[M]+ 325.08008 176.0
[M]- 325.08118 176.0
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.