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 201.2
[M+Na]+ 445.10149 209.9
[M-H]- 421.10499 209.5
[M+NH4]+ 440.14609 212.8
[M+K]+ 461.07543 199.8
[M+H-H2O]+ 405.10953 192.6
[M+HCOO]- 467.11047 215.3
[M+CH3COO]- 481.12612 223.4
[M+Na-2H]- 443.08694 198.2
[M]+ 422.11172 206.0
[M]- 422.11282 206.0
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.