CID 6482129

3-benzyloxy-1-[2-(4,5-dihydrothiazol-2-yl)ethyl]-2-ethyl-pyridin-4-one

Structural Information

Molecular Formula
C19H22N2O2S
SMILES
CCC1=C(C(=O)C=CN1CCC2=NCCS2)OCC3=CC=CC=C3
InChI
InChI=1S/C19H22N2O2S/c1-2-16-19(23-14-15-6-4-3-5-7-15)17(22)8-11-21(16)12-9-18-20-10-13-24-18/h3-8,11H,2,9-10,12-14H2,1H3
InChIKey
NHUGYNMYOOKHNF-UHFFFAOYSA-N
Compound name
1-[2-(4,5-dihydro-1,3-thiazol-2-yl)ethyl]-2-ethyl-3-phenylmethoxypyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1402 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14748 180.7
[M+Na]+ 365.12942 188.9
[M-H]- 341.13292 188.0
[M+NH4]+ 360.17402 193.9
[M+K]+ 381.10336 183.0
[M+H-H2O]+ 325.13746 171.3
[M+HCOO]- 387.13840 197.3
[M+CH3COO]- 401.15405 191.3
[M+Na-2H]- 363.11487 179.7
[M]+ 342.13965 184.9
[M]- 342.14075 184.9
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.