CID 1737794

(5e)-5-({3-chloro-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C19H15ClFNO2S2
SMILES
CCN1C(=O)/C(=C\C2=CC(=C(C=C2)OCC3=CC=C(C=C3)F)Cl)/SC1=S
InChI
InChI=1S/C19H15ClFNO2S2/c1-2-22-18(23)17(26-19(22)25)10-13-5-8-16(15(20)9-13)24-11-12-3-6-14(21)7-4-12/h3-10H,2,11H2,1H3/b17-10+
InChIKey
DHIXCZXCJNTLHJ-LICLKQGHSA-N
Compound name
(5E)-5-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.02167 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.02895 193.4
[M+Na]+ 430.01089 206.7
[M+NH4]+ 425.05549 200.9
[M+K]+ 445.98483 195.5
[M-H]- 406.01439 197.1
[M+Na-2H]- 427.99634 198.6
[M]+ 407.02112 197.5
[M]- 407.02222 197.5
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.