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 203.7
[M+Na]+ 490.93972 213.5
[M-H]- 466.94322 212.9
[M+NH4]+ 485.98432 215.2
[M+K]+ 506.91366 206.6
[M+H-H2O]+ 450.94776 197.7
[M+HCOO]- 512.94870 206.7
[M+CH3COO]- 526.96435 229.3
[M+Na-2H]- 488.92517 197.8
[M]+ 467.94995 210.7
[M]- 467.95105 210.7
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.