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 174.5
[M+Na]+ 347.02832 183.9
[M-H]- 323.03182 184.2
[M+NH4]+ 342.07292 190.4
[M+K]+ 363.00226 175.9
[M+H-H2O]+ 307.03636 166.7
[M+HCOO]- 369.03730 189.1
[M+CH3COO]- 383.05295 185.7
[M+Na-2H]- 345.01377 173.0
[M]+ 324.03855 174.8
[M]- 324.03965 174.8
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.