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]+ 291.125876 168.3
[M+Na]+ 313.107818 174.8
[M-H]- 289.111324 174.8
[M+NH4]+ 308.152423 181.8
[M+K]+ 329.081758 170.0
[M+H-H2O]+ 273.115860 158.6
[M+HCOO]- 335.116801 181.6
[M+CH3COO]- 349.132451 178.8
[M+Na-2H]- 311.093266 170.1
[M]+ 290.11805142 167.7
[M]- 290.11914858 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.