CID 21670

3-(p-chlorophenyl)-5-(piperidinomethyl)isoxazole hydrochloride

Structural Information

Molecular Formula
C15H17ClN2O
SMILES
C1CCN(CC1)CC2=CC(=NO2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H17ClN2O/c16-13-6-4-12(5-7-13)15-10-14(19-17-15)11-18-8-2-1-3-9-18/h4-7,10H,1-3,8-9,11H2
InChIKey
SJUOHIHCJFYRNR-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

276.10294 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11022 163.8
[M+Na]+ 299.09216 170.7
[M-H]- 275.09566 170.4
[M+NH4]+ 294.13676 177.9
[M+K]+ 315.06610 166.2
[M+H-H2O]+ 259.10020 154.3
[M+HCOO]- 321.10114 177.4
[M+CH3COO]- 335.11679 174.7
[M+Na-2H]- 297.07761 166.1
[M]+ 276.10239 162.8
[M]- 276.10349 162.8
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.