CID 26931

5-chloro-2-((2-piperidinoethyl)thio)benzoxazole hydrochloride

Structural Information

Molecular Formula
C14H17ClN2OS
SMILES
C1CCN(CC1)CCSC2=NC3=C(O2)C=CC(=C3)Cl
InChI
InChI=1S/C14H17ClN2OS/c15-11-4-5-13-12(10-11)16-14(18-13)19-9-8-17-6-2-1-3-7-17/h4-5,10H,1-3,6-9H2
InChIKey
ZKGIVLUHMDBAJV-UHFFFAOYSA-N
Compound name
5-chloro-2-(2-piperidin-1-ylethylsulfanyl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.075 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08228 164.3
[M+Na]+ 319.06422 179.1
[M+NH4]+ 314.10882 174.1
[M+K]+ 335.03816 170.1
[M-H]- 295.06772 169.7
[M+Na-2H]- 317.04967 170.7
[M]+ 296.07445 168.9
[M]- 296.07555 168.9
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.