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 190.5
[M+Na]+ 430.01089 201.4
[M-H]- 406.01439 198.2
[M+NH4]+ 425.05549 204.2
[M+K]+ 445.98483 192.0
[M+H-H2O]+ 390.01893 183.3
[M+HCOO]- 452.01987 196.4
[M+CH3COO]- 466.03552 200.5
[M+Na-2H]- 427.99634 184.6
[M]+ 407.02112 194.8
[M]- 407.02222 194.8
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.