CID 24837923

103195-90-0

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]+ 326.087906 174.7
[M+Na]+ 348.069848 180.9
[M-H]- 324.073354 179.5
[M+NH4]+ 343.114453 190.0
[M+K]+ 364.043788 176.7
[M+H-H2O]+ 308.077890 168.0
[M+HCOO]- 370.078831 183.8
[M+CH3COO]- 384.094481 203.4
[M+Na-2H]- 346.055296 170.0
[M]+ 325.08008142 178.3
[M]- 325.08117858 178.3
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.