CID 26832

3-phenyl-5-(1-piperidinoethyl)isoxazole hydrochloride

Structural Information

Molecular Formula
C16H20N2O
SMILES
CC(C1=CC(=NO1)C2=CC=CC=C2)N3CCCCC3
InChI
InChI=1S/C16H20N2O/c1-13(18-10-6-3-7-11-18)16-12-15(17-19-16)14-8-4-2-5-9-14/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3
InChIKey
LVSYEHQXIMPKKT-UHFFFAOYSA-N
Compound name
3-phenyl-5-(1-piperidin-1-ylethyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.15756 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 160.4
[M+Na]+ 279.14678 165.0
[M-H]- 255.15028 167.0
[M+NH4]+ 274.19138 174.1
[M+K]+ 295.12072 162.3
[M+H-H2O]+ 239.15482 150.6
[M+HCOO]- 301.15576 177.5
[M+CH3COO]- 315.17141 171.0
[M+Na-2H]- 277.13223 162.5
[M]+ 256.15701 156.7
[M]- 256.15811 156.7
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.