CID 49777349

(5z)-3-allyl-4-hydroxy-5-[(5-phenyl-2-furyl)methylene]thiazolidine-2-thione

Structural Information

Molecular Formula
C17H15NO2S2
SMILES
C=CCN1C(/C(=C/C2=CC=C(O2)C3=CC=CC=C3)/SC1=S)O
InChI
InChI=1S/C17H15NO2S2/c1-2-10-18-16(19)15(22-17(18)21)11-13-8-9-14(20-13)12-6-4-3-5-7-12/h2-9,11,16,19H,1,10H2/b15-11-
InChIKey
OAISXFLGAPLDSA-PTNGSMBKSA-N
Compound name
(5Z)-4-hydroxy-5-[(5-phenylfuran-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.0544 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.06168 176.4
[M+Na]+ 352.04362 186.6
[M-H]- 328.04712 185.1
[M+NH4]+ 347.08822 192.3
[M+K]+ 368.01756 180.1
[M+H-H2O]+ 312.05166 171.5
[M+HCOO]- 374.05260 187.7
[M+CH3COO]- 388.06825 187.7
[M+Na-2H]- 350.02907 171.1
[M]+ 329.05385 178.3
[M]- 329.05495 178.3
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.