CID 201879

7041-74-9

Structural Information

Molecular Formula
C16H20N2O2
SMILES
C1CCN(CC1)CC(C2=CC(=NO2)C3=CC=CC=C3)O
InChI
InChI=1S/C16H20N2O2/c19-15(12-18-9-5-2-6-10-18)16-11-14(17-20-16)13-7-3-1-4-8-13/h1,3-4,7-8,11,15,19H,2,5-6,9-10,12H2
InChIKey
LWJVXOXWJLSVQO-UHFFFAOYSA-N
Compound name
1-(3-phenyl-1,2-oxazol-5-yl)-2-piperidin-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

patents stripe