CID 6448372

86650-22-8

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 179.5
[M+Na]+ 353.07528 187.7
[M-H]- 329.07878 186.4
[M+NH4]+ 348.11988 195.6
[M+K]+ 369.04922 180.6
[M+H-H2O]+ 313.08332 172.9
[M+HCOO]- 375.08426 188.9
[M+CH3COO]- 389.09991 189.4
[M+Na-2H]- 351.06073 172.2
[M]+ 330.08551 178.0
[M]- 330.08661 178.0
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.