CID 210496

4'-chloro-3-(4-(beta-(isopentyloxy)phenethyl)-1-piperazinyl)propiophenone dihydrochloride

Structural Information

Molecular Formula
C26H35ClN2O2
SMILES
CC(C)CCOC(CN1CCN(CC1)CCC(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C26H35ClN2O2/c1-21(2)13-19-31-26(23-6-4-3-5-7-23)20-29-17-15-28(16-18-29)14-12-25(30)22-8-10-24(27)11-9-22/h3-11,21,26H,12-20H2,1-2H3
InChIKey
HMXSUCPXMIIRFF-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-[4-[2-(3-methylbutoxy)-2-phenylethyl]piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.2387 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.24598 210.1
[M+Na]+ 465.22792 211.2
[M-H]- 441.23142 214.3
[M+NH4]+ 460.27252 216.2
[M+K]+ 481.20186 204.7
[M+H-H2O]+ 425.23596 198.3
[M+HCOO]- 487.23690 217.5
[M+CH3COO]- 501.25255 231.2
[M+Na-2H]- 463.21337 206.0
[M]+ 442.23815 210.6
[M]- 442.23925 210.6
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.