CID 6474300

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

Structural Information

Molecular Formula
C48H38N4O4S2
SMILES
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N3C(=NC4=CC(=CC=C4)OC)S/C(=C/C5=CC=CC=C5)/C3=O)C)N6C(=NC7=CC(=CC=C7)OC)S/C(=C/C8=CC=CC=C8)/C6=O
InChI
InChI=1S/C48H38N4O4S2/c1-31-25-35(21-23-41(31)51-45(53)43(27-33-13-7-5-8-14-33)57-47(51)49-37-17-11-19-39(29-37)55-3)36-22-24-42(32(2)26-36)52-46(54)44(28-34-15-9-6-10-16-34)58-48(52)50-38-18-12-20-40(30-38)56-4/h5-30H,1-4H3/b43-27+,44-28+,49-47?,50-48?
InChIKey
ZLFPUGBFPMMBQC-NWQBMGDMSA-N
Compound name
(5E)-5-benzylidene-3-[4-[4-[(5E)-5-benzylidene-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]-2-methylphenyl]-2-(3-methoxyphenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

798.23346 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 799.24074 292.3
[M+Na]+ 821.22268 297.2
[M-H]- 797.22618 314.0
[M+NH4]+ 816.26728 287.9
[M+K]+ 837.19662 287.6
[M+H-H2O]+ 781.23072 278.9
[M+HCOO]- 843.23166 302.2
[M+CH3COO]- 857.24731 294.5
[M+Na-2H]- 819.20813 281.3
[M]+ 798.23291 294.4
[M]- 798.23401 294.4
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.