CID 20836365

104123-91-3

Structural Information

Molecular Formula
C19H16N2OS
SMILES
CN1C(=O)/C(=C\C=C\C2=CC=CC=C2)/SC1=NC3=CC=CC=C3
InChI
InChI=1S/C19H16N2OS/c1-21-18(22)17(14-8-11-15-9-4-2-5-10-15)23-19(21)20-16-12-6-3-7-13-16/h2-14H,1H3/b11-8+,17-14+,20-19?
InChIKey
WCDVXXNNUYFUJR-PGLPWSIXSA-N
Compound name
(5E)-3-methyl-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.09833 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.10561 176.9
[M+Na]+ 343.08755 190.3
[M+NH4]+ 338.13215 185.2
[M+K]+ 359.06149 180.6
[M-H]- 319.09105 183.1
[M+Na-2H]- 341.07300 185.4
[M]+ 320.09778 181.0
[M]- 320.09888 181.0
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.