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]+ 395.26930 200.3
[M+Na]+ 417.25124 212.1
[M+NH4]+ 412.29584 206.6
[M+K]+ 433.22518 204.6
[M-H]- 393.25474 204.4
[M+Na-2H]- 415.23669 207.9
[M]+ 394.26147 203.2
[M]- 394.26257 203.2
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.