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 196.4
[M+Na]+ 430.99944 206.5
[M-H]- 407.00294 208.0
[M+NH4]+ 426.04404 207.5
[M+K]+ 446.97338 201.7
[M+H-H2O]+ 391.00748 189.5
[M+HCOO]- 453.00842 200.3
[M+CH3COO]- 467.02407 206.3
[M+Na-2H]- 428.98489 190.4
[M]+ 408.00967 200.2
[M]- 408.01077 200.2
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.