CID 6482133

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

Structural Information

Molecular Formula
C12H16N2O2S
SMILES
CCC1=C(C(=O)C=CN1CCC2=NCCS2)O
InChI
InChI=1S/C12H16N2O2S/c1-2-9-12(16)10(15)3-6-14(9)7-4-11-13-5-8-17-11/h3,6,16H,2,4-5,7-8H2,1H3
InChIKey
ZZAFXRVUSIYOFK-UHFFFAOYSA-N
Compound name
1-[2-(4,5-dihydro-1,3-thiazol-2-yl)ethyl]-2-ethyl-3-hydroxypyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.09325 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10053 155.4
[M+Na]+ 275.08247 164.8
[M-H]- 251.08597 158.9
[M+NH4]+ 270.12707 172.1
[M+K]+ 291.05641 160.3
[M+H-H2O]+ 235.09051 148.2
[M+HCOO]- 297.09145 171.4
[M+CH3COO]- 311.10710 189.5
[M+Na-2H]- 273.06792 155.2
[M]+ 252.09270 158.1
[M]- 252.09380 158.1
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.