CID 201883

1-propanol, 3-piperidino-1-(3-phenyl-5-isoxazolyl)-, hydrochloride

Structural Information

Molecular Formula
C17H22N2O2
SMILES
C1CCN(C(C1)C2=CC(=NO2)C3=CC=CC=C3)CCCO
InChI
InChI=1S/C17H22N2O2/c20-12-6-11-19-10-5-4-9-16(19)17-13-15(18-21-17)14-7-2-1-3-8-14/h1-3,7-8,13,16,20H,4-6,9-12H2
InChIKey
WITKQBPBDSTPPD-UHFFFAOYSA-N
Compound name
3-[2-(3-phenyl-1,2-oxazol-5-yl)piperidin-1-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.16812 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.175396 168.1
[M+Na]+ 309.157338 172.9
[M-H]- 285.160844 173.5
[M+NH4]+ 304.201943 180.2
[M+K]+ 325.131278 169.2
[M+H-H2O]+ 269.165380 158.4
[M+HCOO]- 331.166321 184.6
[M+CH3COO]- 345.181971 177.9
[M+Na-2H]- 307.142786 169.8
[M]+ 286.16757142 165.4
[M]- 286.16866858 165.4
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.