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 184.3
[M+Na]+ 387.08074 189.8
[M-H]- 363.08424 187.2
[M+NH4]+ 382.12534 197.0
[M+K]+ 403.05468 182.2
[M+H-H2O]+ 347.08878 177.2
[M+HCOO]- 409.08972 193.5
[M+CH3COO]- 423.10537 210.6
[M+Na-2H]- 385.06619 179.7
[M]+ 364.09097 185.5
[M]- 364.09207 185.5
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.