CID 57935959

Ethyl 2-(piperidin-4-yl)-1,3-thiazole-4-carboxylate hydrobromide

Structural Information

Molecular Formula
C11H16N2O2S
SMILES
CCOC(=O)C1=CSC(=N1)C2CCNCC2
InChI
InChI=1S/C11H16N2O2S/c1-2-15-11(14)9-7-16-10(13-9)8-3-5-12-6-4-8/h7-8,12H,2-6H2,1H3
InChIKey
LHNMNSLNPGLLEM-UHFFFAOYSA-N
Compound name
ethyl 2-piperidin-4-yl-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

240.09325 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10053 154.3
[M+Na]+ 263.08247 163.6
[M+NH4]+ 258.12707 161.7
[M+K]+ 279.05641 158.1
[M-H]- 239.08597 155.5
[M+Na-2H]- 261.06792 158.2
[M]+ 240.09270 156.1
[M]- 240.09380 156.1
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

patents stripe