CID 1565790

3-benzyl-5-(p-chlorobenzylidene)rhodanine

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-XNTDXEJSSA-N
Compound name
(5E)-3-benzyl-5-[(4-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 176.9
[M+Na]+ 367.99410 191.8
[M+NH4]+ 363.03870 186.4
[M+K]+ 383.96804 180.0
[M-H]- 343.99760 182.9
[M+Na-2H]- 365.97955 184.5
[M]+ 345.00433 182.1
[M]- 345.00543 182.1
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.