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 159.9
[M+Na]+ 280.14202 165.2
[M-H]- 256.14552 165.0
[M+NH4]+ 275.18662 172.2
[M+K]+ 296.11596 162.1
[M+H-H2O]+ 240.15006 149.0
[M+HCOO]- 302.15100 176.9
[M+CH3COO]- 316.16665 170.2
[M+Na-2H]- 278.12747 163.5
[M]+ 257.15225 156.9
[M]- 257.15335 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