CID 210494

21263-37-6

Structural Information

Molecular Formula
C26H36N2O2
SMILES
CC(C)CCOC(CN1CCN(CC1)CCC(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C26H36N2O2/c1-22(2)14-20-30-26(24-11-7-4-8-12-24)21-28-18-16-27(17-19-28)15-13-25(29)23-9-5-3-6-10-23/h3-12,22,26H,13-21H2,1-2H3
InChIKey
DZSAHPKMIJIPST-UHFFFAOYSA-N
Compound name
3-[4-[2-(3-methylbutoxy)-2-phenylethyl]piperazin-1-yl]-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.27768 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.28496 205.0
[M+Na]+ 431.26690 216.6
[M+NH4]+ 426.31150 211.1
[M+K]+ 447.24084 208.4
[M-H]- 407.27040 209.5
[M+Na-2H]- 429.25235 211.9
[M]+ 408.27713 207.8
[M]- 408.27823 207.8
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.