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 217.4
[M+Na]+ 481.24618 219.7
[M-H]- 457.24968 225.2
[M+NH4]+ 476.29078 221.6
[M+K]+ 497.22012 213.3
[M+H-H2O]+ 441.25422 203.2
[M+HCOO]- 503.25516 231.4
[M+CH3COO]- 517.27081 234.8
[M+Na-2H]- 479.23163 215.1
[M]+ 458.25641 216.6
[M]- 458.25751 216.6
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