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 184.6
[M+Na]+ 392.11382 188.9
[M-H]- 368.11732 189.7
[M+NH4]+ 387.15842 194.4
[M+K]+ 408.08776 188.3
[M+H-H2O]+ 352.12186 175.9
[M+HCOO]- 414.12280 196.1
[M+CH3COO]- 428.13845 213.3
[M+Na-2H]- 390.09927 182.7
[M]+ 369.12405 190.7
[M]- 369.12515 190.7
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.