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]+ 326.17508 177.0
[M+Na]+ 348.15702 182.4
[M-H]- 324.16052 186.6
[M+NH4]+ 343.20162 189.2
[M+K]+ 364.13096 180.2
[M+H-H2O]+ 308.16506 167.8
[M+HCOO]- 370.16600 192.8
[M+CH3COO]- 384.18165 187.3
[M+Na-2H]- 346.14247 179.2
[M]+ 325.16725 176.3
[M]- 325.16835 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.