CID 5729776

2-(2,6-dimethyl-4-morpholinyl)-5-(4-fluorobenzylidene)-1,3-thiazol-4(5h)-one

Structural Information

Molecular Formula
C16H17FN2O2S
SMILES
CC1CN(CC(O1)C)C2=NC(=O)/C(=C/C3=CC=C(C=C3)F)/S2
InChI
InChI=1S/C16H17FN2O2S/c1-10-8-19(9-11(2)21-10)16-18-15(20)14(22-16)7-12-3-5-13(17)6-4-12/h3-7,10-11H,8-9H2,1-2H3/b14-7-
InChIKey
SNUZYPNRQAUKCE-AUWJEWJLSA-N
Compound name
(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(4-fluorophenyl)methylidene]-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.0995 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.10678 177.0
[M+Na]+ 343.08872 189.1
[M+NH4]+ 338.13332 183.9
[M+K]+ 359.06266 182.1
[M-H]- 319.09222 181.1
[M+Na-2H]- 341.07417 181.3
[M]+ 320.09895 180.2
[M]- 320.10005 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.