CID 460787

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

Structural Information

Molecular Formula
C32H24Cl2N4O2S2
SMILES
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N3C(=O)CSC3=NC4=CC=CC=C4Cl)C)N5C(=O)CSC5=NC6=CC=CC=C6Cl
InChI
InChI=1S/C32H24Cl2N4O2S2/c1-19-15-21(11-13-27(19)37-29(39)17-41-31(37)35-25-9-5-3-7-23(25)33)22-12-14-28(20(2)16-22)38-30(40)18-42-32(38)36-26-10-6-4-8-24(26)34/h3-16H,17-18H2,1-2H3
InChIKey
YJXDDZBCYCCESB-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)imino-3-[4-[4-[2-(2-chlorophenyl)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

630.0718 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 631.07908 255.3
[M+Na]+ 653.06102 265.3
[M-H]- 629.06452 273.4
[M+NH4]+ 648.10562 261.1
[M+K]+ 669.03496 255.6
[M+H-H2O]+ 613.06906 245.7
[M+HCOO]- 675.07000 259.0
[M+CH3COO]- 689.08565 261.7
[M+Na-2H]- 651.04647 245.5
[M]+ 630.07125 261.1
[M]- 630.07235 261.1
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.