CID 460785

(2z)-2-(4-ethoxyphenyl)imino-3-[4-[4-[(2z)-2-(4-ethoxyphenyl)imino-4-oxo-thiazolidin-3-yl]-3-methyl-phenyl]-2-methyl-phenyl]thiazolidin-4-one

Structural Information

Molecular Formula
C36H34N4O4S2
SMILES
CCOC1=CC=C(C=C1)N=C2N(C(=O)CS2)C3=C(C=C(C=C3)C4=CC(=C(C=C4)N5C(=O)CSC5=NC6=CC=C(C=C6)OCC)C)C
InChI
InChI=1S/C36H34N4O4S2/c1-5-43-29-13-9-27(10-14-29)37-35-39(33(41)21-45-35)31-17-7-25(19-23(31)3)26-8-18-32(24(4)20-26)40-34(42)22-46-36(40)38-28-11-15-30(16-12-28)44-6-2/h7-20H,5-6,21-22H2,1-4H3
InChIKey
SVYAHIMYZXKUJC-UHFFFAOYSA-N
Compound name
2-(4-ethoxyphenyl)imino-3-[4-[4-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]-2-methylphenyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

650.20215 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 651.20943 258.7
[M+Na]+ 673.19137 265.1
[M-H]- 649.19487 276.8
[M+NH4]+ 668.23597 261.6
[M+K]+ 689.16531 257.1
[M+H-H2O]+ 633.19941 247.9
[M+HCOO]- 695.20035 270.7
[M+CH3COO]- 709.21600 264.3
[M+Na-2H]- 671.17682 249.7
[M]+ 650.20160 264.1
[M]- 650.20270 264.1
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.