CID 71109

Perisoxal

Structural Information

Molecular Formula
C16H20N2O2
SMILES
C1CCN(CC1)CC(C2=NOC(=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C16H20N2O2/c19-15(12-18-9-5-2-6-10-18)14-11-16(20-17-14)13-7-3-1-4-8-13/h1,3-4,7-8,11,15,19H,2,5-6,9-10,12H2
InChIKey
XKFIQZCHJUUSBA-UHFFFAOYSA-N
Compound name
1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5735
Patents

272.15247 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 163.5
[M+Na]+ 295.14169 167.5
[M-H]- 271.14519 168.8
[M+NH4]+ 290.18629 175.7
[M+K]+ 311.11563 164.6
[M+H-H2O]+ 255.14973 153.9
[M+HCOO]- 317.15067 179.3
[M+CH3COO]- 331.16632 173.2
[M+Na-2H]- 293.12714 165.3
[M]+ 272.15192 159.4
[M]- 272.15302 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe