CID 45046819

290839-67-7

Structural Information

Molecular Formula
C24H20ClN3O2S
SMILES
C=CCN\1C(=O)C(S/C1=N/N=C/C2=CC=C(O2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4
InChI
InChI=1S/C24H20ClN3O2S/c1-2-14-28-23(29)22(15-17-6-4-3-5-7-17)31-24(28)27-26-16-20-12-13-21(30-20)18-8-10-19(25)11-9-18/h2-13,16,22H,1,14-15H2/b26-16+,27-24+
InChIKey
VTVZBJAINPBAPU-TXRJCFMDSA-N
Compound name
(2E)-5-benzyl-2-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.09647 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.10375 209.0
[M+Na]+ 472.08569 223.0
[M+NH4]+ 467.13029 216.6
[M+K]+ 488.05963 214.5
[M-H]- 448.08919 218.6
[M+Na-2H]- 470.07114 217.3
[M]+ 449.09592 214.4
[M]- 449.09702 214.4
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.