CID 1830691

324069-56-9

Structural Information

Molecular Formula
C24H19NO2S2
SMILES
C1=CC=C(C=C1)CCN2C(=O)/C(=C/C3=CC(=CC=C3)OC4=CC=CC=C4)/SC2=S
InChI
InChI=1S/C24H19NO2S2/c26-23-22(29-24(28)25(23)15-14-18-8-3-1-4-9-18)17-19-10-7-13-21(16-19)27-20-11-5-2-6-12-20/h1-13,16-17H,14-15H2/b22-17-
InChIKey
CLGPLTHKNPLZEX-XLNRJJMWSA-N
Compound name
(5Z)-5-[(3-phenoxyphenyl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.08572 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.09300 199.6
[M+Na]+ 440.07494 208.0
[M-H]- 416.07844 210.6
[M+NH4]+ 435.11954 211.0
[M+K]+ 456.04888 198.9
[M+H-H2O]+ 400.08298 191.0
[M+HCOO]- 462.08392 211.3
[M+CH3COO]- 476.09957 208.8
[M+Na-2H]- 438.06039 195.8
[M]+ 417.08517 201.1
[M]- 417.08627 201.1
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.