CID 10435214

1-(4-benzyloxyphenyl)-2-(4-diphenylmethylpiperazinyl)ethanol monohydrochloride

Structural Information

Molecular Formula
C32H34N2O2
SMILES
C1CN(CCN1CC(C2=CC=C(C=C2)OCC3=CC=CC=C3)O)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C32H34N2O2/c35-31(27-16-18-30(19-17-27)36-25-26-10-4-1-5-11-26)24-33-20-22-34(23-21-33)32(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,31-32,35H,20-25H2
InChIKey
MAPNSBNZAPTWLU-UHFFFAOYSA-N
Compound name
2-(4-benzhydrylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

478.26202 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.26930 219.0
[M+Na]+ 501.25124 218.1
[M-H]- 477.25474 227.2
[M+NH4]+ 496.29584 220.2
[M+K]+ 517.22518 210.3
[M+H-H2O]+ 461.25928 203.8
[M+HCOO]- 523.26022 229.9
[M+CH3COO]- 537.27587 222.7
[M+Na-2H]- 499.23669 217.6
[M]+ 478.26147 212.3
[M]- 478.26257 212.3
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

patents stripe