CID 211639

23509-58-2

Structural Information

Molecular Formula
C14H23NO3S2
SMILES
CC(=O)OCCC1C(N(C(=S)S1)C2CCCCC2)(C)O
InChI
InChI=1S/C14H23NO3S2/c1-10(16)18-9-8-12-14(2,17)15(13(19)20-12)11-6-4-3-5-7-11/h11-12,17H,3-9H2,1-2H3
InChIKey
FCKYDENAUOZGHB-UHFFFAOYSA-N
Compound name
2-(3-cyclohexyl-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-5-yl)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.11194 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.11922 171.4
[M+Na]+ 340.10116 176.1
[M-H]- 316.10466 173.8
[M+NH4]+ 335.14576 188.2
[M+K]+ 356.07510 171.9
[M+H-H2O]+ 300.10920 166.5
[M+HCOO]- 362.11014 176.0
[M+CH3COO]- 376.12579 199.7
[M+Na-2H]- 338.08661 166.6
[M]+ 317.11139 170.4
[M]- 317.11249 170.4
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.