CID 14636

3-phenyl-5-(piperidinomethyl)isoxazole hydrochloride

Structural Information

Molecular Formula
C15H18N2O
SMILES
C1CCN(CC1)CC2=CC(=NO2)C3=CC=CC=C3
InChI
InChI=1S/C15H18N2O/c1-3-7-13(8-4-1)15-11-14(18-16-15)12-17-9-5-2-6-10-17/h1,3-4,7-8,11H,2,5-6,9-10,12H2
InChIKey
IDNKMEIJFTWUEG-UHFFFAOYSA-N
Compound name
3-phenyl-5-(piperidin-1-ylmethyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1419 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.149176 155.4
[M+Na]+ 265.131118 160.8
[M-H]- 241.134624 162.1
[M+NH4]+ 260.175723 169.8
[M+K]+ 281.105058 157.9
[M+H-H2O]+ 225.139160 145.7
[M+HCOO]- 287.140101 173.9
[M+CH3COO]- 301.155751 166.6
[M+Na-2H]- 263.116566 159.3
[M]+ 242.14135142 152.0
[M]- 242.14244858 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.