CID 1565789

23509-49-1

Structural Information

Molecular Formula
C17H12ClNOS2
SMILES
C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)Cl)/SC2=S
InChI
InChI=1S/C17H12ClNOS2/c18-14-8-6-12(7-9-14)10-15-16(20)19(17(21)22-15)11-13-4-2-1-3-5-13/h1-10H,11H2/b15-10-
InChIKey
SXKLQIXSAPAAII-GDNBJRDFSA-N
Compound name
(5Z)-3-benzyl-5-[(4-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

345.00488 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.01216 177.6
[M+Na]+ 367.99410 188.4
[M-H]- 343.99760 186.5
[M+NH4]+ 363.03870 193.6
[M+K]+ 383.96804 179.3
[M+H-H2O]+ 328.00214 171.4
[M+HCOO]- 390.00308 185.1
[M+CH3COO]- 404.01873 188.7
[M+Na-2H]- 365.97955 173.9
[M]+ 345.00433 180.0
[M]- 345.00543 180.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.