CID 16512

3-(2-pyridyl)-5-(2-piperidinoethyl)-isoxazole hydrochloride

Structural Information

Molecular Formula
C15H19N3O
SMILES
C1CCN(CC1)CCC2=CC(=NO2)C3=CC=CC=N3
InChI
InChI=1S/C15H19N3O/c1-4-9-18(10-5-1)11-7-13-12-15(17-19-13)14-6-2-3-8-16-14/h2-3,6,8,12H,1,4-5,7,9-11H2
InChIKey
WFNHAQXQKOMQJD-UHFFFAOYSA-N
Compound name
5-(2-piperidin-1-ylethyl)-3-pyridin-2-yl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1528 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.16008 161.2
[M+Na]+ 280.14202 174.8
[M+NH4]+ 275.18662 169.2
[M+K]+ 296.11596 169.1
[M-H]- 256.14552 166.8
[M+Na-2H]- 278.12747 169.6
[M]+ 257.15225 164.7
[M]- 257.15335 164.7
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.