CID 5337705

4992-30-7

Structural Information

Molecular Formula
C17H12N2OS2
SMILES
C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)/N=C/C3=CC=CC=C3
InChI
InChI=1S/C17H12N2OS2/c20-16-15(11-13-7-3-1-4-8-13)22-17(21)19(16)18-12-14-9-5-2-6-10-14/h1-12H/b15-11-,18-12+
InChIKey
RWXSCGUFLZZHQD-DARJFKRNSA-N
Compound name
(5Z)-5-benzylidene-3-[(E)-benzylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.0391 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.04638 172.6
[M+Na]+ 347.02832 185.6
[M+NH4]+ 342.07292 181.4
[M+K]+ 363.00226 174.6
[M-H]- 323.03182 178.9
[M+Na-2H]- 345.01377 180.7
[M]+ 324.03855 177.1
[M]- 324.03965 177.1
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.