CID 6474307

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

Structural Information

Molecular Formula
C48H38N4O2S2
SMILES
CC1=CC(=CC=C1)N=C2S/C(=C/C3=CC=CC=C3)/C(=O)N2C4=C(C=C(C=C4)C5=CC(=C(C=C5)N6C(=NC7=CC=CC(=C7)C)S/C(=C/C8=CC=CC=C8)/C6=O)C)C
InChI
InChI=1S/C48H38N4O2S2/c1-31-13-11-19-39(25-31)49-47-51(45(53)43(55-47)29-35-15-7-5-8-16-35)41-23-21-37(27-33(41)3)38-22-24-42(34(4)28-38)52-46(54)44(30-36-17-9-6-10-18-36)56-48(52)50-40-20-12-14-32(2)26-40/h5-30H,1-4H3/b43-29+,44-30+,49-47?,50-48?
InChIKey
OGDAZRQSBJSSBK-PTCHYBBISA-N
Compound name
(5E)-5-benzylidene-3-[4-[4-[(5E)-5-benzylidene-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]-2-methylphenyl]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

766.2436 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 767.25088 288.7
[M+Na]+ 789.23282 294.9
[M-H]- 765.23632 310.6
[M+NH4]+ 784.27742 286.1
[M+K]+ 805.20676 283.3
[M+H-H2O]+ 749.24086 275.5
[M+HCOO]- 811.24180 298.5
[M+CH3COO]- 825.25745 291.5
[M+Na-2H]- 787.21827 276.5
[M]+ 766.24305 288.7
[M]- 766.24415 288.7
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.