CID 3064528

2(3h)-benzoxazolone, 3-((4-hydroxy-4-phenyl-1-piperidinyl)methyl)-

Structural Information

Molecular Formula
C19H20N2O3
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)CN3C4=CC=CC=C4OC3=O
InChI
InChI=1S/C19H20N2O3/c22-18-21(16-8-4-5-9-17(16)24-18)14-20-12-10-19(23,11-13-20)15-6-2-1-3-7-15/h1-9,23H,10-14H2
InChIKey
BKVVUXQNVOWHGH-UHFFFAOYSA-N
Compound name
3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1474 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15468 175.1
[M+Na]+ 347.13662 190.4
[M+NH4]+ 342.18122 184.3
[M+K]+ 363.11056 182.7
[M-H]- 323.14012 181.3
[M+Na-2H]- 345.12207 184.5
[M]+ 324.14685 179.3
[M]- 324.14795 179.3
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.