CID 1555597

307525-26-4

Structural Information

Molecular Formula
C19H15NO2S2
SMILES
COC1=CC=CC=C1N2C(=O)/C(=C/C=C/C3=CC=CC=C3)/SC2=S
InChI
InChI=1S/C19H15NO2S2/c1-22-16-12-6-5-11-15(16)20-18(21)17(24-19(20)23)13-7-10-14-8-3-2-4-9-14/h2-13H,1H3/b10-7+,17-13-
InChIKey
BCTRHWYEJXXTFR-DESBJYGPSA-N
Compound name
(5Z)-3-(2-methoxyphenyl)-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

353.0544 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.06168 182.4
[M+Na]+ 376.04362 191.8
[M-H]- 352.04712 190.9
[M+NH4]+ 371.08822 196.9
[M+K]+ 392.01756 183.4
[M+H-H2O]+ 336.05166 175.1
[M+HCOO]- 398.05260 194.2
[M+CH3COO]- 412.06825 192.8
[M+Na-2H]- 374.02907 178.4
[M]+ 353.05385 184.1
[M]- 353.05495 184.1
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.