CID 215371

Brn 0568963

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 174.5
[M+Na]+ 364.06478 179.7
[M-H]- 340.06828 178.7
[M+NH4]+ 359.10938 187.1
[M+K]+ 380.03872 175.8
[M+H-H2O]+ 324.07282 167.0
[M+HCOO]- 386.07376 181.5
[M+CH3COO]- 400.08941 207.2
[M+Na-2H]- 362.05023 171.4
[M]+ 341.07501 177.5
[M]- 341.07611 177.5
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

patents stripe