CID 3041441

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

Structural Information

Molecular Formula
C20H23NO3
SMILES
CN1CC[C@H]([C@H](C1)COC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4
InChI
InChI=1S/C20H23NO3/c1-21-10-9-18(15-5-3-2-4-6-15)16(12-21)13-22-17-7-8-19-20(11-17)24-14-23-19/h2-8,11,16,18H,9-10,12-14H2,1H3/t16-,18+/m1/s1
InChIKey
OVUNPIXRLQMWHL-AEFFLSMTSA-N
Compound name
(3R,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-1-methyl-4-phenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.175076 177.0
[M+Na]+ 348.157018 182.4
[M-H]- 324.160524 186.6
[M+NH4]+ 343.201623 189.2
[M+K]+ 364.130958 180.2
[M+H-H2O]+ 308.165060 167.8
[M+HCOO]- 370.166001 192.8
[M+CH3COO]- 384.181651 187.3
[M+Na-2H]- 346.142466 179.2
[M]+ 325.16725142 176.3
[M]- 325.16834858 176.3
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.