CID 10095884

2-(4-diphenylmethylpiperazinyl)-1-(2,3,4-trimethoxyphenyl)ethanol dihydrochloride

Structural Information

Molecular Formula
C28H34N2O4
SMILES
COC1=C(C(=C(C=C1)C(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O)OC)OC
InChI
InChI=1S/C28H34N2O4/c1-32-25-15-14-23(27(33-2)28(25)34-3)24(31)20-29-16-18-30(19-17-29)26(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-15,24,26,31H,16-20H2,1-3H3
InChIKey
SDNZGRXXTVXALQ-UHFFFAOYSA-N
Compound name
2-(4-benzhydrylpiperazin-1-yl)-1-(2,3,4-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]+ 463.25914 216.8
[M+Na]+ 485.24108 230.7
[M+NH4]+ 480.28568 222.6
[M+K]+ 501.21502 222.8
[M-H]- 461.24458 223.3
[M+Na-2H]- 483.22653 225.4
[M]+ 462.25131 220.6
[M]- 462.25241 220.6
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