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 171.4
[M+Na]+ 334.14135 175.8
[M-H]- 310.14485 179.4
[M+NH4]+ 329.18595 183.2
[M+K]+ 350.11529 173.1
[M+H-H2O]+ 294.14939 162.5
[M+HCOO]- 356.15033 186.1
[M+CH3COO]- 370.16598 181.2
[M+Na-2H]- 332.12680 174.5
[M]+ 311.15158 168.2
[M]- 311.15268 168.2
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.