CID 6448827

5-(2-chlorobenzylidene)-3-(2-chlorophenacyl)thiazolidene-2,4-dione

Structural Information

Molecular Formula
C18H11Cl2NO3S
SMILES
C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H11Cl2NO3S/c19-13-7-5-11(6-8-13)15(22)10-21-17(23)16(25-18(21)24)9-12-3-1-2-4-14(12)20/h1-9H,10H2/b16-9-
InChIKey
ATOSUXRGBJUQKS-SXGWCWSVSA-N
Compound name
(5Z)-5-[(2-chlorophenyl)methylidene]-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.98367 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.99095 187.6
[M+Na]+ 413.97289 198.0
[M-H]- 389.97639 196.3
[M+NH4]+ 409.01749 201.5
[M+K]+ 429.94683 190.0
[M+H-H2O]+ 373.98093 181.2
[M+HCOO]- 435.98187 194.4
[M+CH3COO]- 449.99752 213.5
[M+Na-2H]- 411.95834 183.1
[M]+ 390.98312 192.5
[M]- 390.98422 192.5
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.