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]+ 257.164836 160.4
[M+Na]+ 279.146778 165.0
[M-H]- 255.150284 167.0
[M+NH4]+ 274.191383 174.1
[M+K]+ 295.120718 162.3
[M+H-H2O]+ 239.154820 150.6
[M+HCOO]- 301.155761 177.5
[M+CH3COO]- 315.171411 171.0
[M+Na-2H]- 277.132226 162.5
[M]+ 256.15701142 156.7
[M]- 256.15810858 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.