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

0
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 168.3
[M+Na]+ 313.10782 174.8
[M-H]- 289.11132 174.8
[M+NH4]+ 308.15242 181.8
[M+K]+ 329.08176 170.0
[M+H-H2O]+ 273.11586 158.6
[M+HCOO]- 335.11680 181.6
[M+CH3COO]- 349.13245 178.8
[M+Na-2H]- 311.09327 170.1
[M]+ 290.11805 167.7
[M]- 290.11915 167.7
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.