CID 210486

21263-33-2

Structural Information

Molecular Formula
C25H33ClN2O2
SMILES
CC(C)(C)OC(CC1=CC=CC=C1)N2CCN(CC2)CCC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C25H33ClN2O2/c1-25(2,3)30-24(19-20-7-5-4-6-8-20)28-17-15-27(16-18-28)14-13-23(29)21-9-11-22(26)12-10-21/h4-12,24H,13-19H2,1-3H3
InChIKey
WRXCOTBLEQXWPT-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-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

428.22305 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.23033 206.5
[M+Na]+ 451.21227 208.9
[M-H]- 427.21577 211.3
[M+NH4]+ 446.25687 213.5
[M+K]+ 467.18621 202.7
[M+H-H2O]+ 411.22031 195.3
[M+HCOO]- 473.22125 213.7
[M+CH3COO]- 487.23690 227.3
[M+Na-2H]- 449.19772 205.0
[M]+ 428.22250 206.7
[M]- 428.22360 206.7
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.