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 215.2
[M+Na]+ 485.24108 216.6
[M-H]- 461.24458 222.0
[M+NH4]+ 480.28568 218.4
[M+K]+ 501.21502 211.8
[M+H-H2O]+ 445.24912 201.7
[M+HCOO]- 507.25006 227.1
[M+CH3COO]- 521.26571 234.0
[M+Na-2H]- 483.22653 212.3
[M]+ 462.25131 214.0
[M]- 462.25241 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