CID 10071478

1-(2,4-dimethoxyphenyl)-2-(4-diphenylmethylpiperazinyl)ethanol dihydrochloride

Structural Information

Molecular Formula
C27H32N2O3
SMILES
COC1=CC(=C(C=C1)C(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O)OC
InChI
InChI=1S/C27H32N2O3/c1-31-23-13-14-24(26(19-23)32-2)25(30)20-28-15-17-29(18-16-28)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19,25,27,30H,15-18,20H2,1-2H3
InChIKey
AEBHJAVLXJILNV-UHFFFAOYSA-N
Compound name
2-(4-benzhydrylpiperazin-1-yl)-1-(2,4-dimethoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

432.2413 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.24858 209.6
[M+Na]+ 455.23052 223.9
[M+NH4]+ 450.27512 216.2
[M+K]+ 471.20446 215.4
[M-H]- 431.23402 216.5
[M+Na-2H]- 453.21597 219.1
[M]+ 432.24075 213.7
[M]- 432.24185 213.7
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

patents stripe