CID 3039674

Brn 1161171

Structural Information

Molecular Formula
C15H19NO5S
SMILES
CC(=O)OC1=C(C=C(C=C1OC)C(=O)N2CCSCC2)OC
InChI
InChI=1S/C15H19NO5S/c1-10(17)21-14-12(19-2)8-11(9-13(14)20-3)15(18)16-4-6-22-7-5-16/h8-9H,4-7H2,1-3H3
InChIKey
QAWMQNWGMOSLID-UHFFFAOYSA-N
Compound name
[2,6-dimethoxy-4-(thiomorpholine-4-carbonyl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.0984 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10568 172.7
[M+Na]+ 348.08762 182.8
[M+NH4]+ 343.13222 178.7
[M+K]+ 364.06156 176.5
[M-H]- 324.09112 174.1
[M+Na-2H]- 346.07307 176.6
[M]+ 325.09785 174.7
[M]- 325.09895 174.7
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.