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 194.9
[M+Na]+ 445.98135 205.8
[M-H]- 421.98485 203.4
[M+NH4]+ 441.02595 208.4
[M+K]+ 461.95529 196.3
[M+H-H2O]+ 405.98939 189.3
[M+HCOO]- 467.99033 196.8
[M+CH3COO]- 482.00598 204.6
[M+Na-2H]- 443.96680 188.8
[M]+ 422.99158 201.0
[M]- 422.99268 201.0
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.