CID 6482125

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

Structural Information

Molecular Formula
C11H14N2O2S
SMILES
CCC1=C(C(=O)C=CN1CC2=NCCS2)O
InChI
InChI=1S/C11H14N2O2S/c1-2-8-11(15)9(14)3-5-13(8)7-10-12-4-6-16-10/h3,5,15H,2,4,6-7H2,1H3
InChIKey
JUOIVTYXYUWYBY-UHFFFAOYSA-N
Compound name
1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-2-ethyl-3-hydroxypyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0776 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08488 151.0
[M+Na]+ 261.06682 160.9
[M-H]- 237.07032 154.7
[M+NH4]+ 256.11142 168.3
[M+K]+ 277.04076 156.6
[M+H-H2O]+ 221.07486 144.1
[M+HCOO]- 283.07580 167.3
[M+CH3COO]- 297.09145 186.5
[M+Na-2H]- 259.05227 151.3
[M]+ 238.07705 153.4
[M]- 238.07815 153.4
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.