CID 6482122

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

Structural Information

Molecular Formula
C17H18N2O2S
SMILES
CC1=CC(=O)C(=CN1CC2=NCCS2)OCC3=CC=CC=C3
InChI
InChI=1S/C17H18N2O2S/c1-13-9-15(20)16(21-12-14-5-3-2-4-6-14)10-19(13)11-17-18-7-8-22-17/h2-6,9-10H,7-8,11-12H2,1H3
InChIKey
RYUJCUQFWNNFEP-UHFFFAOYSA-N
Compound name
1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-2-methyl-5-phenylmethoxypyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1089 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11618 172.1
[M+Na]+ 337.09812 181.2
[M-H]- 313.10162 179.8
[M+NH4]+ 332.14272 186.4
[M+K]+ 353.07206 175.8
[M+H-H2O]+ 297.10616 163.1
[M+HCOO]- 359.10710 189.4
[M+CH3COO]- 373.12275 183.6
[M+Na-2H]- 335.08357 172.1
[M]+ 314.10835 175.7
[M]- 314.10945 175.7
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.