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 174.9
[M+Na]+ 347.13662 183.4
[M-H]- 323.14012 182.5
[M+NH4]+ 342.18122 188.5
[M+K]+ 363.11056 178.8
[M+H-H2O]+ 307.14466 165.0
[M+HCOO]- 369.14560 192.2
[M+CH3COO]- 383.16125 185.6
[M+Na-2H]- 345.12207 179.5
[M]+ 324.14685 174.5
[M]- 324.14795 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.