CID 1917149

332109-72-5

Structural Information

Molecular Formula
C18H14Cl2N2O3S
SMILES
C1COCCN1C2=NC(=O)/C(=C\C3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl)/S2
InChI
InChI=1S/C18H14Cl2N2O3S/c19-11-1-3-14(20)13(9-11)15-4-2-12(25-15)10-16-17(23)21-18(26-16)22-5-7-24-8-6-22/h1-4,9-10H,5-8H2/b16-10+
InChIKey
BYPQOYBYXSDEEV-MHWRWJLKSA-N
Compound name
(5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.01022 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.01750 190.9
[M+Na]+ 430.99944 205.9
[M+NH4]+ 426.04404 198.8
[M+K]+ 446.97338 199.5
[M-H]- 407.00294 199.0
[M+Na-2H]- 428.98489 196.9
[M]+ 408.00967 196.4
[M]- 408.01077 196.4
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.