CID 6474306

(2z,5e)-5-benzylidene-3-[4-[4-[(2z,5e)-5-benzylidene-2-(2-chlorophenyl)imino-4-oxo-thiazolidin-3-yl]-3-methyl-phenyl]-2-methyl-phenyl]-2-(2-chlorophenyl)imino-thiazolidin-4-one

Structural Information

Molecular Formula
C46H32Cl2N4O2S2
SMILES
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N3C(=NC4=CC=CC=C4Cl)S/C(=C/C5=CC=CC=C5)/C3=O)C)N6C(=NC7=CC=CC=C7Cl)S/C(=C/C8=CC=CC=C8)/C6=O
InChI
InChI=1S/C46H32Cl2N4O2S2/c1-29-25-33(21-23-39(29)51-43(53)41(27-31-13-5-3-6-14-31)55-45(51)49-37-19-11-9-17-35(37)47)34-22-24-40(30(2)26-34)52-44(54)42(28-32-15-7-4-8-16-32)56-46(52)50-38-20-12-10-18-36(38)48/h3-28H,1-2H3/b41-27+,42-28+,49-45?,50-46?
InChIKey
AVQQATRMMKQMHB-OUNGNKBTSA-N
Compound name
(5E)-5-benzylidene-3-[4-[4-[(5E)-5-benzylidene-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]-2-methylphenyl]-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

806.1344 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 807.14168 295.8
[M+Na]+ 829.12362 303.7
[M-H]- 805.12712 317.0
[M+NH4]+ 824.16822 293.6
[M+K]+ 845.09756 292.5
[M+H-H2O]+ 789.13166 283.0
[M+HCOO]- 851.13260 297.5
[M+CH3COO]- 865.14825 298.2
[M+Na-2H]- 827.10907 283.3
[M]+ 806.13385 300.0
[M]- 806.13495 300.0
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.