CID 135558998

(5e)-5-[(2e,4e)-5-(4-methoxyanilino)-2,4-pentadienylidene]-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C23H22N2O2S2
SMILES
COC1=CC=C(C=C1)N=C/C=C/C=C/C2=C(N(C(=S)S2)CCC3=CC=CC=C3)O
InChI
InChI=1S/C23H22N2O2S2/c1-27-20-13-11-19(12-14-20)24-16-7-3-6-10-21-22(26)25(23(28)29-21)17-15-18-8-4-2-5-9-18/h2-14,16,26H,15,17H2,1H3/b7-3+,10-6+,24-16?
InChIKey
FDDUBDPTJSZXAX-AQOMTVOYSA-N
Compound name
4-hydroxy-5-[(1E,3E)-5-(4-methoxyphenyl)iminopenta-1,3-dienyl]-3-(2-phenylethyl)-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.11227 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.11955 200.7
[M+Na]+ 445.10149 213.6
[M+NH4]+ 440.14609 207.6
[M+K]+ 461.07543 201.8
[M-H]- 421.10499 206.2
[M+Na-2H]- 443.08694 207.8
[M]+ 422.11172 205.0
[M]- 422.11282 205.0
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.