CID 215371

35624-97-6

Structural Information

Molecular Formula
C15H19NO4S2
SMILES
CC(=O)OC1=C(C=C(C=C1OC)C(=S)N2CCSCC2)OC
InChI
InChI=1S/C15H19NO4S2/c1-10(17)20-14-12(18-2)8-11(9-13(14)19-3)15(21)16-4-6-22-7-5-16/h8-9H,4-7H2,1-3H3
InChIKey
FYHXRXUYDLOVIF-UHFFFAOYSA-N
Compound name
[2,6-dimethoxy-4-(thiomorpholine-4-carbothioyl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.07556 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.08284 174.0
[M+Na]+ 364.06478 183.8
[M+NH4]+ 359.10938 180.8
[M+K]+ 380.03872 175.3
[M-H]- 340.06828 176.1
[M+Na-2H]- 362.05023 177.7
[M]+ 341.07501 176.7
[M]- 341.07611 176.7
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.