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]+ 325.121656 175.3
[M+Na]+ 347.103598 180.1
[M-H]- 323.107104 180.3
[M+NH4]+ 342.148203 189.8
[M+K]+ 363.077538 177.7
[M+H-H2O]+ 307.111640 167.5
[M+HCOO]- 369.112581 191.1
[M+CH3COO]- 383.128231 206.1
[M+Na-2H]- 345.089046 173.0
[M]+ 324.11383142 178.6
[M]- 324.11492858 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.