CID 6446205

55436-44-7

Structural Information

Molecular Formula

C₂₂H₃₂N₂O₂

SMILES

CC(=CCC/C(=C/CN1CCN(CC1)CC2=CC3=C(C=C2)OCO3)/C)C

InChI

InChI=1S/C22H32N2O2/c1-18(2)5-4-6-19(3)9-10-23-11-13-24(14-12-23)16-20-7-8-21-22(15-20)26-17-25-21/h5,7-9,15H,4,6,10-14,16-17H2,1-3H3/b19-9+

InChIKey

PNLNRIWUGZICBX-DJKKODMXSA-N

Compound name

1-(1,3-benzodioxol-5-ylmethyl)-4-[(2E)-3,7-dimethylocta-2,6-dienyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 356.24637 Da
Monoisotopic Mass: 4.7
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]+	357.253646	194.2
[M+Na]+	379.235588	196.6
[M-H]-	355.239094	198.0
[M+NH4]+	374.280193	203.9
[M+K]+	395.209528	193.4
[M+H-H2O]+	339.243630	184.7
[M+HCOO]-	401.244571	204.7
[M+CH3COO]-	415.260221	215.6
[M+Na-2H]-	377.221036	191.3
[M]+	356.24582142	192.7
[M]-	356.24691858	192.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.