CID 6474298

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

Structural Information

Molecular Formula
C46H34N4O2S2
SMILES
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N3C(=NC4=CC=CC=C4)S/C(=C/C5=CC=CC=C5)/C3=O)C)N6C(=NC7=CC=CC=C7)S/C(=C/C8=CC=CC=C8)/C6=O
InChI
InChI=1S/C46H34N4O2S2/c1-31-27-35(23-25-39(31)49-43(51)41(29-33-15-7-3-8-16-33)53-45(49)47-37-19-11-5-12-20-37)36-24-26-40(32(2)28-36)50-44(52)42(30-34-17-9-4-10-18-34)54-46(50)48-38-21-13-6-14-22-38/h3-30H,1-2H3/b41-29+,42-30+,47-45?,48-46?
InChIKey
QPVBUJJCHXYSMB-TUUSASDLSA-N
Compound name
(5E)-5-benzylidene-3-[4-[4-[(5E)-5-benzylidene-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]-3-methylphenyl]-2-methylphenyl]-2-phenylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

738.21234 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 739.21962 280.0
[M+Na]+ 761.20156 285.9
[M-H]- 737.20506 301.6
[M+NH4]+ 756.24616 278.1
[M+K]+ 777.17550 274.3
[M+H-H2O]+ 721.20960 266.9
[M+HCOO]- 783.21054 290.6
[M+CH3COO]- 797.22619 283.1
[M+Na-2H]- 759.18701 269.8
[M]+ 738.21179 278.6
[M]- 738.21289 278.6
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.