CID 25015749

173904-50-2

Structural Information

Molecular Formula
C19H11Cl3N2O4S
SMILES
COC(=O)/C=C/1\C(=O)N(C(=NC(=O)C2=C(C=C(C=C2)Cl)Cl)S1)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H11Cl3N2O4S/c1-28-16(25)9-15-18(27)24(12-5-2-10(20)3-6-12)19(29-15)23-17(26)13-7-4-11(21)8-14(13)22/h2-9H,1H3/b15-9+,23-19?
InChIKey
SDGLYCKTPKZBGI-DALCUZTNSA-N
Compound name
methyl (2E)-2-[3-(4-chlorophenyl)-2-(2,4-dichlorobenzoyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

0
Patents

467.9505 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.95778 203.6
[M+Na]+ 490.93972 217.0
[M+NH4]+ 485.98432 209.6
[M+K]+ 506.91366 208.8
[M-H]- 466.94322 207.0
[M+Na-2H]- 488.92517 208.9
[M]+ 467.94995 207.5
[M]- 467.95105 207.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.