CID 6366672

1-benzhydryl-4-(2,3,4-trimethoxycinnamyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C29H34N2O3
SMILES
COC1=C(C(=C(C=C1)/C=C/CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC)OC
InChI
InChI=1S/C29H34N2O3/c1-32-26-17-16-25(28(33-2)29(26)34-3)15-10-18-30-19-21-31(22-20-30)27(23-11-6-4-7-12-23)24-13-8-5-9-14-24/h4-17,27H,18-22H2,1-3H3/b15-10+
InChIKey
CFKQPNTZUJFROZ-XNTDXEJSSA-N
Compound name
1-benzhydryl-4-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

458.25696 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.26424 218.1
[M+Na]+ 481.24618 233.2
[M+NH4]+ 476.29078 224.5
[M+K]+ 497.22012 223.2
[M-H]- 457.24968 225.4
[M+Na-2H]- 479.23163 227.6
[M]+ 458.25641 222.4
[M]- 458.25751 222.4
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