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]+ 271.18050 164.5
[M+Na]+ 293.16244 168.9
[M-H]- 269.16594 170.7
[M+NH4]+ 288.20704 177.7
[M+K]+ 309.13638 165.6
[M+H-H2O]+ 253.17048 154.3
[M+HCOO]- 315.17142 182.3
[M+CH3COO]- 329.18707 174.7
[M+Na-2H]- 291.14789 167.2
[M]+ 270.17267 161.7
[M]- 270.17377 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