CID 210450

21263-14-9

Structural Information

Molecular Formula
C26H35ClN2O2
SMILES
CC(CN1CCN(CC1)C(CC2=CC=CC=C2)OC(C)(C)C)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C26H35ClN2O2/c1-20(25(30)22-10-12-23(27)13-11-22)19-28-14-16-29(17-15-28)24(31-26(2,3)4)18-21-8-6-5-7-9-21/h5-13,20,24H,14-19H2,1-4H3
InChIKey
LOCRHFVILZZUPH-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-methyl-3-[4-[1-[(2-methylpropan-2-yl)oxy]-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

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.24598 209.3
[M+Na]+ 465.22792 211.0
[M-H]- 441.23142 214.0
[M+NH4]+ 460.27252 215.7
[M+K]+ 481.20186 205.2
[M+H-H2O]+ 425.23596 198.3
[M+HCOO]- 487.23690 215.3
[M+CH3COO]- 501.25255 231.1
[M+Na-2H]- 463.21337 206.4
[M]+ 442.23815 209.4
[M]- 442.23925 209.4
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.