CID 6449022

3-(3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)-2-((2-methoxyphenoxy)methyl)thiazolidine

Structural Information

Molecular Formula
C20H21NO5S
SMILES
COC1=CC=CC=C1OCC2N(CCS2)C(=O)/C=C/C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C20H21NO5S/c1-25-17-4-2-3-5-18(17)26-13-20-21(10-11-27-20)19(24)9-7-14-6-8-15(22)16(23)12-14/h2-9,12,20,22-23H,10-11,13H2,1H3/b9-7+
InChIKey
CBNIRCSLDOFYEF-VQHVLOKHSA-N
Compound name
(E)-3-(3,4-dihydroxyphenyl)-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.11404 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.12132 190.6
[M+Na]+ 410.10326 196.3
[M-H]- 386.10676 196.4
[M+NH4]+ 405.14786 201.6
[M+K]+ 426.07720 191.1
[M+H-H2O]+ 370.11130 182.6
[M+HCOO]- 432.11224 203.5
[M+CH3COO]- 446.12789 211.0
[M+Na-2H]- 408.08871 186.8
[M]+ 387.11349 193.0
[M]- 387.11459 193.0
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.