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]+ 409.284956 204.9
[M+Na]+ 431.266898 204.3
[M-H]- 407.270404 208.8
[M+NH4]+ 426.311503 211.0
[M+K]+ 447.240838 199.2
[M+H-H2O]+ 391.274940 192.4
[M+HCOO]- 453.275881 216.8
[M+CH3COO]- 467.291531 226.6
[M+Na-2H]- 429.252346 201.9
[M]+ 408.27713142 202.5
[M]- 408.27822858 202.5
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.