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 207.7
[M+Na]+ 455.23052 208.9
[M-H]- 431.23402 214.3
[M+NH4]+ 450.27512 212.1
[M+K]+ 471.20446 203.3
[M+H-H2O]+ 415.23856 194.5
[M+HCOO]- 477.23950 219.8
[M+CH3COO]- 491.25515 213.3
[M+Na-2H]- 453.21597 206.0
[M]+ 432.24075 204.4
[M]- 432.24185 204.4
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

patents stripe