CID 16514

3-(p-methoxyphenyl)-5-(2-piperidinoethyl)isoxazole hydrochloride

Structural Information

Molecular Formula
C17H22N2O2
SMILES
COC1=CC=C(C=C1)C2=NOC(=C2)CCN3CCCCC3
InChI
InChI=1S/C17H22N2O2/c1-20-15-7-5-14(6-8-15)17-13-16(21-18-17)9-12-19-10-3-2-4-11-19/h5-8,13H,2-4,9-12H2,1H3
InChIKey
KJFQLTDOPBVTHM-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-5-(2-piperidin-1-ylethyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

286.16812 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 169.0
[M+Na]+ 309.15734 182.4
[M+NH4]+ 304.20194 177.0
[M+K]+ 325.13128 176.6
[M-H]- 285.16084 175.1
[M+Na-2H]- 307.14279 176.7
[M]+ 286.16757 172.6
[M]- 286.16867 172.6
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