CID 14163

3-phenyl-5-(3-piperidinopropyl)isoxazole hydrochloride

Structural Information

Molecular Formula
C17H22N2O
SMILES
C1CCN(CC1)CCCC2=CC(=NO2)C3=CC=CC=C3
InChI
InChI=1S/C17H22N2O/c1-3-8-15(9-4-1)17-14-16(20-18-17)10-7-13-19-11-5-2-6-12-19/h1,3-4,8-9,14H,2,5-7,10-13H2
InChIKey
UOUVJMKUBQBVKR-UHFFFAOYSA-N
Compound name
3-phenyl-5-(3-piperidin-1-ylpropyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

270.17322 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.180496 164.5
[M+Na]+ 293.162438 168.9
[M-H]- 269.165944 170.7
[M+NH4]+ 288.207043 177.7
[M+K]+ 309.136378 165.6
[M+H-H2O]+ 253.170480 154.3
[M+HCOO]- 315.171421 182.3
[M+CH3COO]- 329.187071 174.7
[M+Na-2H]- 291.147886 167.2
[M]+ 270.17267142 161.7
[M]- 270.17376858 161.7
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

patents stripe