CID 5190114

3-(2-furylmethyl)-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one

Structural Information

Molecular Formula
C17H19NO5S
SMILES
COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)CC3=CC=CO3
InChI
InChI=1S/C17H19NO5S/c1-20-13-7-11(8-14(21-2)16(13)22-3)17-18(15(19)10-24-17)9-12-5-4-6-23-12/h4-8,17H,9-10H2,1-3H3
InChIKey
GPAXWEMWTALJEB-UHFFFAOYSA-N
Compound name
3-(furan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.0984 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.10568 179.4
[M+Na]+ 372.08762 188.6
[M-H]- 348.09112 189.9
[M+NH4]+ 367.13222 194.6
[M+K]+ 388.06156 187.0
[M+H-H2O]+ 332.09566 173.1
[M+HCOO]- 394.09660 197.3
[M+CH3COO]- 408.11225 209.2
[M+Na-2H]- 370.07307 176.2
[M]+ 349.09785 187.9
[M]- 349.09895 187.9
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.