CID 51156

Brn 0580513

Structural Information

Molecular Formula
C17H23NO6S
SMILES
CCOC(=O)COC1=C(C=C(C=C1OC)C(=S)N2CCOCC2)OC
InChI
InChI=1S/C17H23NO6S/c1-4-23-15(19)11-24-16-13(20-2)9-12(10-14(16)21-3)17(25)18-5-7-22-8-6-18/h9-10H,4-8,11H2,1-3H3
InChIKey
NPIWJYYJVKKKJV-UHFFFAOYSA-N
Compound name
ethyl 2-[2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.1246 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13188 184.4
[M+Na]+ 392.11382 194.0
[M+NH4]+ 387.15842 189.4
[M+K]+ 408.08776 188.1
[M-H]- 368.11732 186.6
[M+Na-2H]- 390.09927 186.9
[M]+ 369.12405 186.5
[M]- 369.12515 186.5
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

No patent data available for this compound.