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 214.2
[M+Na]+ 472.08569 223.2
[M-H]- 448.08919 229.5
[M+NH4]+ 467.13029 226.4
[M+K]+ 488.05963 216.0
[M+H-H2O]+ 432.09373 205.3
[M+HCOO]- 494.09467 231.1
[M+CH3COO]- 508.11032 224.4
[M+Na-2H]- 470.07114 209.9
[M]+ 449.09592 220.3
[M]- 449.09702 220.3
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.