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]+ 325.154676 174.9
[M+Na]+ 347.136618 183.4
[M-H]- 323.140124 182.5
[M+NH4]+ 342.181223 188.5
[M+K]+ 363.110558 178.8
[M+H-H2O]+ 307.144660 165.0
[M+HCOO]- 369.145601 192.2
[M+CH3COO]- 383.161251 185.6
[M+Na-2H]- 345.122066 179.5
[M]+ 324.14685142 174.5
[M]- 324.14794858 174.5
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.