CID 6445522

1-piperazinepropanol, 4-(p-methoxyphenyl)-alpha-(3,4,5-trimethoxystyryl)-, dihydrochloride

Structural Information

Molecular Formula
C25H34N2O5
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)CCC(/C=C/C3=CC(=C(C(=C3)OC)OC)OC)O
InChI
InChI=1S/C25H34N2O5/c1-29-22-9-6-20(7-10-22)27-15-13-26(14-16-27)12-11-21(28)8-5-19-17-23(30-2)25(32-4)24(18-19)31-3/h5-10,17-18,21,28H,11-16H2,1-4H3/b8-5+
InChIKey
QKJZQDUVDHVPPJ-VMPITWQZSA-N
Compound name
(E)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.24677 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.25405 211.4
[M+Na]+ 465.23599 223.3
[M+NH4]+ 460.28059 215.8
[M+K]+ 481.20993 216.4
[M-H]- 441.23949 214.6
[M+Na-2H]- 463.22144 216.3
[M]+ 442.24622 213.8
[M]- 442.24732 213.8
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

No patent data available for this compound.