CID 210484

21263-32-1

Structural Information

Molecular Formula
C25H34N2O2
SMILES
CC(C)(C)OC(CC1=CC=CC=C1)N2CCN(CC2)CCC(=O)C3=CC=CC=C3
InChI
InChI=1S/C25H34N2O2/c1-25(2,3)29-24(20-21-10-6-4-7-11-21)27-18-16-26(17-19-27)15-14-23(28)22-12-8-5-9-13-22/h4-13,24H,14-20H2,1-3H3
InChIKey
UZPFIBFKQBQVGP-UHFFFAOYSA-N
Compound name
3-[4-[1-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]piperazin-1-yl]-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.26202 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.269296 200.7
[M+Na]+ 417.251238 201.4
[M-H]- 393.254744 205.2
[M+NH4]+ 412.295843 207.8
[M+K]+ 433.225178 196.6
[M+H-H2O]+ 377.259280 189.0
[M+HCOO]- 439.260221 212.4
[M+CH3COO]- 453.275871 222.7
[M+Na-2H]- 415.236686 200.3
[M]+ 394.26147142 198.0
[M]- 394.26256858 198.0
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.