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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.25365 192.1
[M+Na]+ 379.23559 202.2
[M+NH4]+ 374.28019 198.3
[M+K]+ 395.20953 197.2
[M-H]- 355.23909 196.5
[M+Na-2H]- 377.22104 193.3
[M]+ 356.24582 194.6
[M]- 356.24692 194.6
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.