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 173.8
[M+Na]+ 343.08872 182.8
[M-H]- 319.09222 180.7
[M+NH4]+ 338.13332 187.1
[M+K]+ 359.06266 178.1
[M+H-H2O]+ 303.09676 165.0
[M+HCOO]- 365.09770 185.6
[M+CH3COO]- 379.11335 184.4
[M+Na-2H]- 341.07417 170.1
[M]+ 320.09895 172.5
[M]- 320.10005 172.5
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.