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

1
Patents

257.1528 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.160076 159.9
[M+Na]+ 280.142018 165.2
[M-H]- 256.145524 165.0
[M+NH4]+ 275.186623 172.2
[M+K]+ 296.115958 162.1
[M+H-H2O]+ 240.150060 149.0
[M+HCOO]- 302.151001 176.9
[M+CH3COO]- 316.166651 170.2
[M+Na-2H]- 278.127466 163.5
[M]+ 257.15225142 156.9
[M]- 257.15334858 156.9
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

patents stripe