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]+ 287.17540 168.1
[M+Na]+ 309.15734 172.9
[M-H]- 285.16084 173.5
[M+NH4]+ 304.20194 180.2
[M+K]+ 325.13128 169.2
[M+H-H2O]+ 269.16538 158.4
[M+HCOO]- 331.16632 184.6
[M+CH3COO]- 345.18197 177.9
[M+Na-2H]- 307.14279 169.8
[M]+ 286.16757 165.4
[M]- 286.16867 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.