CID 21310

3-(p-chlorophenyl)-5-(2-piperidinoethyl)isoxazole hydrochloride

Structural Information

Molecular Formula
C16H19ClN2O
SMILES
C1CCN(CC1)CCC2=CC(=NO2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H19ClN2O/c17-14-6-4-13(5-7-14)16-12-15(20-18-16)8-11-19-9-2-1-3-10-19/h4-7,12H,1-3,8-11H2
InChIKey
CCLWBHCSAFCSII-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5-(2-piperidin-1-ylethyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

290.1186 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12588 167.6
[M+Na]+ 313.10782 182.5
[M+NH4]+ 308.15242 176.6
[M+K]+ 329.08176 175.5
[M-H]- 289.11132 174.2
[M+Na-2H]- 311.09327 176.0
[M]+ 290.11805 172.0
[M]- 290.11915 172.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.