CID 6448373

3-((bis(2-hydroxyethyl)amino)methyl)-5-(3-phenyl-2-propenylidene)-2-thioxo-4-thiazolidinone

Structural Information

Molecular Formula
C17H20N2O3S2
SMILES
C1=CC=C(C=C1)/C=C/C=C/2\C(=O)N(C(=S)S2)CN(CCO)CCO
InChI
InChI=1S/C17H20N2O3S2/c20-11-9-18(10-12-21)13-19-16(22)15(24-17(19)23)8-4-7-14-5-2-1-3-6-14/h1-8,20-21H,9-13H2/b7-4+,15-8+
InChIKey
YCVCZYLWYLPWNJ-DUEVJXGLSA-N
Compound name
(5E)-3-[[bis(2-hydroxyethyl)amino]methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.09152 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.09880 185.1
[M+Na]+ 387.08074 192.5
[M+NH4]+ 382.12534 190.6
[M+K]+ 403.05468 184.5
[M-H]- 363.08424 186.2
[M+Na-2H]- 385.06619 186.8
[M]+ 364.09097 186.9
[M]- 364.09207 186.9
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.