CID 6274333

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

Structural Information

Molecular Formula
C19H15Cl2NO2S2
SMILES
CCN1C(=O)/C(=C\C2=CC=C(C=C2)OCC3=C(C=C(C=C3)Cl)Cl)/SC1=S
InChI
InChI=1S/C19H15Cl2NO2S2/c1-2-22-18(23)17(26-19(22)25)9-12-3-7-15(8-4-12)24-11-13-5-6-14(20)10-16(13)21/h3-10H,2,11H2,1H3/b17-9+
InChIKey
VWMYBPDTPQQFEC-RQZCQDPDSA-N
Compound name
(5E)-5-[[4-[(2,4-dichlorophenyl)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

422.99213 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.99941 197.6
[M+Na]+ 445.98135 212.4
[M+NH4]+ 441.02595 205.9
[M+K]+ 461.95529 200.3
[M-H]- 421.98485 202.7
[M+Na-2H]- 443.96680 203.4
[M]+ 422.99158 202.7
[M]- 422.99268 202.7
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.