CID 6448362

3-(((4-chlorophenyl)amino)methyl)-5-(3-phenyl-2-propenylidene)-2-thioxo-4-thiazolidinone

Structural Information

Molecular Formula
C19H15ClN2OS2
SMILES
C1=CC=C(C=C1)/C=C/C=C/2\C(=O)N(C(=S)S2)CNC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H15ClN2OS2/c20-15-9-11-16(12-10-15)21-13-22-18(23)17(25-19(22)24)8-4-7-14-5-2-1-3-6-14/h1-12,21H,13H2/b7-4+,17-8+
InChIKey
RDKPKVVYSBBYSR-AQHRCUNFSA-N
Compound name
(5E)-3-[(4-chloroanilino)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.03143 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.03871 188.5
[M+Na]+ 409.02065 201.6
[M+NH4]+ 404.06525 196.7
[M+K]+ 424.99459 189.8
[M-H]- 385.02415 194.2
[M+Na-2H]- 407.00610 195.3
[M]+ 386.03088 193.1
[M]- 386.03198 193.1
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.