CID 6482123

3-benzyloxy-1-(4,5-dihydrothiazol-2-ylmethyl)pyridin-4-one

Structural Information

Molecular Formula
C16H16N2O2S
SMILES
C1CSC(=N1)CN2C=CC(=O)C(=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C16H16N2O2S/c19-14-6-8-18(11-16-17-7-9-21-16)10-15(14)20-12-13-4-2-1-3-5-13/h1-6,8,10H,7,9,11-12H2
InChIKey
DXWLVQZBEXHROL-UHFFFAOYSA-N
Compound name
1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-3-phenylmethoxypyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.09326 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10054 167.5
[M+Na]+ 323.08248 176.3
[M-H]- 299.08598 175.0
[M+NH4]+ 318.12708 182.1
[M+K]+ 339.05642 171.0
[M+H-H2O]+ 283.09052 158.5
[M+HCOO]- 345.09146 185.2
[M+CH3COO]- 359.10711 179.1
[M+Na-2H]- 321.06793 168.7
[M]+ 300.09271 170.3
[M]- 300.09381 170.3
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.