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

1
Patents

286.16812 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.175396 167.9
[M+Na]+ 309.157338 173.2
[M-H]- 285.160844 174.6
[M+NH4]+ 304.201943 180.7
[M+K]+ 325.131278 170.4
[M+H-H2O]+ 269.165380 157.9
[M+HCOO]- 331.166321 185.9
[M+CH3COO]- 345.181971 178.4
[M+Na-2H]- 307.142786 170.0
[M]+ 286.16757142 167.0
[M]- 286.16866858 167.0
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