CID 6482126

792881-73-3

Structural Information

Molecular Formula
C10H12N2O2S
SMILES
CC1=CC(=O)C(=CN1CC2=NCCS2)O
InChI
InChI=1S/C10H12N2O2S/c1-7-4-8(13)9(14)5-12(7)6-10-11-2-3-15-10/h4-5,14H,2-3,6H2,1H3
InChIKey
SOHUZOLSNSBQGI-UHFFFAOYSA-N
Compound name
1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-5-hydroxy-2-methylpyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.06195 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.069226 146.7
[M+Na]+ 247.051168 157.0
[M-H]- 223.054674 150.5
[M+NH4]+ 242.095773 164.5
[M+K]+ 263.025108 152.9
[M+H-H2O]+ 207.059210 139.9
[M+HCOO]- 269.060151 163.3
[M+CH3COO]- 283.075801 183.5
[M+Na-2H]- 245.036616 147.4
[M]+ 224.06140142 148.6
[M]- 224.06249858 148.6
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.