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]+ 243.14918 155.4
[M+Na]+ 265.13112 160.8
[M-H]- 241.13462 162.1
[M+NH4]+ 260.17572 169.8
[M+K]+ 281.10506 157.9
[M+H-H2O]+ 225.13916 145.7
[M+HCOO]- 287.14010 173.9
[M+CH3COO]- 301.15575 166.6
[M+Na-2H]- 263.11657 159.3
[M]+ 242.14135 152.0
[M]- 242.14245 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.