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 189.7
[M+Na]+ 409.02065 198.9
[M-H]- 385.02415 198.0
[M+NH4]+ 404.06525 203.5
[M+K]+ 424.99459 188.4
[M+H-H2O]+ 369.02869 182.8
[M+HCOO]- 431.02963 197.6
[M+CH3COO]- 445.04528 199.3
[M+Na-2H]- 407.00610 186.0
[M]+ 386.03088 191.3
[M]- 386.03198 191.3
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.