CID 3074758

161364-71-2

Structural Information

Molecular Formula
C15H20N2O4S
SMILES
CNC(=O)CC(=O)N1CCSC1COC2=CC=CC=C2OC
InChI
InChI=1S/C15H20N2O4S/c1-16-13(18)9-14(19)17-7-8-22-15(17)10-21-12-6-4-3-5-11(12)20-2/h3-6,15H,7-10H2,1-2H3,(H,16,18)
InChIKey
ZUMOVYQJSPCYPF-UHFFFAOYSA-N
Compound name
3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-N-methyl-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.11438 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.12166 175.3
[M+Na]+ 347.10360 180.1
[M-H]- 323.10710 180.3
[M+NH4]+ 342.14820 189.8
[M+K]+ 363.07754 177.7
[M+H-H2O]+ 307.11164 167.5
[M+HCOO]- 369.11258 191.1
[M+CH3COO]- 383.12823 206.1
[M+Na-2H]- 345.08905 173.0
[M]+ 324.11383 178.6
[M]- 324.11493 178.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.