CID 10344313

2-(4-diphenylmethylpiperazinyl)-1-(3,4,5-trimethoxyphenyl)ethanol monohydrochloride

Structural Information

Molecular Formula
C28H34N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C28H34N2O4/c1-32-25-18-23(19-26(33-2)28(25)34-3)24(31)20-29-14-16-30(17-15-29)27(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,18-19,24,27,31H,14-17,20H2,1-3H3
InChIKey
GGZNRYKSWRCZOJ-UHFFFAOYSA-N
Compound name
2-(4-benzhydrylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

462.25186 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.259136 215.2
[M+Na]+ 485.241078 216.6
[M-H]- 461.244584 222.0
[M+NH4]+ 480.285683 218.4
[M+K]+ 501.215018 211.8
[M+H-H2O]+ 445.249120 201.7
[M+HCOO]- 507.250061 227.1
[M+CH3COO]- 521.265711 234.0
[M+Na-2H]- 483.226526 212.3
[M]+ 462.25131142 214.0
[M]- 462.25240858 214.0
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