CID 47546

65210-34-6

Structural Information

Molecular Formula

C₂₁H₃₂N₂O₂

SMILES

CC1(OC2=C(O1)C=C(C=C2)CN3CCCCC3)CCN4CCCCC4

InChI

InChI=1S/C21H32N2O2/c1-21(10-15-22-11-4-2-5-12-22)24-19-9-8-18(16-20(19)25-21)17-23-13-6-3-7-14-23/h8-9,16H,2-7,10-15,17H2,1H3

InChIKey

MAXCYSHQJOAVCE-UHFFFAOYSA-N

Compound name

1-[[2-methyl-2-(2-piperidin-1-ylethyl)-1,3-benzodioxol-5-yl]methyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 344.24637 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	345.253646	186.4
[M+Na]+	367.235588	188.4
[M-H]-	343.239094	192.9
[M+NH4]+	362.280193	197.9
[M+K]+	383.209528	186.0
[M+H-H2O]+	327.243630	175.6
[M+HCOO]-	389.244571	195.9
[M+CH3COO]-	403.260221	193.9
[M+Na-2H]-	365.221036	186.1
[M]+	344.24582142	180.6
[M]-	344.24691858	180.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.