CID 3041443

Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-phenyl-, hydrochloride, cis-(-)-

Structural Information

Molecular Formula
C19H21NO3
SMILES
C1CNC[C@@H]([C@@H]1C2=CC=CC=C2)COC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C19H21NO3/c1-2-4-14(5-3-1)17-8-9-20-11-15(17)12-21-16-6-7-18-19(10-16)23-13-22-18/h1-7,10,15,17,20H,8-9,11-13H2/t15-,17+/m1/s1
InChIKey
VUYNWBMXOQBJAI-WBVHZDCISA-N
Compound name
(3R,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-phenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.15213 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 173.9
[M+Na]+ 334.14135 187.5
[M+NH4]+ 329.18595 182.6
[M+K]+ 350.11529 181.8
[M-H]- 310.14485 182.1
[M+Na-2H]- 332.12680 180.3
[M]+ 311.15158 178.2
[M]- 311.15268 178.2
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.