CID 6448372

5-(3-phenyl-2-propenylidene)-3-(1-pyrrolidinylmethyl)-2-thioxo-4-thiazolidinone

Structural Information

Molecular Formula
C17H18N2OS2
SMILES
C1CCN(C1)CN2C(=O)/C(=C\C=C\C3=CC=CC=C3)/SC2=S
InChI
InChI=1S/C17H18N2OS2/c20-16-15(10-6-9-14-7-2-1-3-8-14)22-17(21)19(16)13-18-11-4-5-12-18/h1-3,6-10H,4-5,11-13H2/b9-6+,15-10+
InChIKey
OWLROUCFMMJRCT-UJHPFZFGSA-N
Compound name
(5E)-5-[(E)-3-phenylprop-2-enylidene]-3-(pyrrolidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.08606 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.09334 178.4
[M+Na]+ 353.07528 188.3
[M+NH4]+ 348.11988 186.2
[M+K]+ 369.04922 180.0
[M-H]- 329.07878 182.0
[M+Na-2H]- 351.06073 182.0
[M]+ 330.08551 181.5
[M]- 330.08661 181.5
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.