CID 209464

1-(beta-butoxy-p-cyclopentylphenethyl)-4-methylpiperazine dihydrochloride

Structural Information

Molecular Formula
C22H36N2O
SMILES
CCC(C)OC(CC1=CC=C(C=C1)C2CCCC2)N3CCN(CC3)C
InChI
InChI=1S/C22H36N2O/c1-4-18(2)25-22(24-15-13-23(3)14-16-24)17-19-9-11-21(12-10-19)20-7-5-6-8-20/h9-12,18,20,22H,4-8,13-17H2,1-3H3
InChIKey
TVUIORMSBGLHPS-UHFFFAOYSA-N
Compound name
1-[1-butan-2-yloxy-2-(4-cyclopentylphenyl)ethyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.28278 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.29006 190.3
[M+Na]+ 367.27200 200.0
[M+NH4]+ 362.31660 197.7
[M+K]+ 383.24594 194.3
[M-H]- 343.27550 194.6
[M+Na-2H]- 365.25745 195.2
[M]+ 344.28223 192.7
[M]- 344.28333 192.7
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.