CID 697365

5-(4-hydroxy-3-methoxybenzylidene)-2-(4-morpholinyl)-1,3-thiazol-4(5h)-one

Structural Information

Molecular Formula
C15H16N2O4S
SMILES
COC1=C(C=CC(=C1)/C=C/2\C(=O)N=C(S2)N3CCOCC3)O
InChI
InChI=1S/C15H16N2O4S/c1-20-12-8-10(2-3-11(12)18)9-13-14(19)16-15(22-13)17-4-6-21-7-5-17/h2-3,8-9,18H,4-7H2,1H3/b13-9+
InChIKey
KUIFSWAFSKZRSU-UKTHLTGXSA-N
Compound name
(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

320.08307 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.090346 172.8
[M+Na]+ 343.072288 180.3
[M-H]- 319.075794 179.4
[M+NH4]+ 338.116893 184.8
[M+K]+ 359.046228 176.7
[M+H-H2O]+ 303.080330 164.9
[M+HCOO]- 365.081271 184.8
[M+CH3COO]- 379.096921 183.0
[M+Na-2H]- 341.057736 170.9
[M]+ 320.08252142 172.7
[M]- 320.08361858 172.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.