CID 6482121

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

Structural Information

Molecular Formula
C18H20N2O2S
SMILES
CCC1=C(C(=O)C=CN1CC2=NCCS2)OCC3=CC=CC=C3
InChI
InChI=1S/C18H20N2O2S/c1-2-15-18(22-13-14-6-4-3-5-7-14)16(21)8-10-20(15)12-17-19-9-11-23-17/h3-8,10H,2,9,11-13H2,1H3
InChIKey
DUEMTNMRLPYUQX-UHFFFAOYSA-N
Compound name
1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-2-ethyl-3-phenylmethoxypyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.12454 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13182 176.4
[M+Na]+ 351.11376 185.1
[M-H]- 327.11726 183.9
[M+NH4]+ 346.15836 190.2
[M+K]+ 367.08770 179.4
[M+H-H2O]+ 311.12180 167.2
[M+HCOO]- 373.12274 193.4
[M+CH3COO]- 387.13839 187.4
[M+Na-2H]- 349.09921 175.9
[M]+ 328.12399 180.3
[M]- 328.12509 180.3
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.