CID 5941080

5-((5-(3,4-di-cl-ph)-2-furyl)methylene)3-isobutyl-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C18H15Cl2NO2S2
SMILES
CC(C)CN1C(=O)/C(=C\C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)/SC1=S
InChI
InChI=1S/C18H15Cl2NO2S2/c1-10(2)9-21-17(22)16(25-18(21)24)8-12-4-6-15(23-12)11-3-5-13(19)14(20)7-11/h3-8,10H,9H2,1-2H3/b16-8+
InChIKey
SOZCQTNPJIJGBR-LZYBPNLTSA-N
Compound name
(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.99213 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.99941 196.3
[M+Na]+ 433.98135 207.8
[M-H]- 409.98485 206.4
[M+NH4]+ 429.02595 211.2
[M+K]+ 449.95529 200.5
[M+H-H2O]+ 393.98939 192.5
[M+HCOO]- 455.99033 197.8
[M+CH3COO]- 470.00598 206.7
[M+Na-2H]- 431.96680 187.5
[M]+ 410.99158 203.1
[M]- 410.99268 203.1
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.