CID 3070232

Piperazine, 1,4-bis(2-(3,4,5-trimethoxyphenyl)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C26H38N2O6
SMILES
COC1=CC(=CC(=C1OC)OC)CCN2CCN(CC2)CCC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C26H38N2O6/c1-29-21-15-19(16-22(30-2)25(21)33-5)7-9-27-11-13-28(14-12-27)10-8-20-17-23(31-3)26(34-6)24(18-20)32-4/h15-18H,7-14H2,1-6H3
InChIKey
WQYNOTLFJQARMW-UHFFFAOYSA-N
Compound name
1,4-bis[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.27298 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.28026 219.0
[M+Na]+ 497.26220 223.5
[M-H]- 473.26570 225.0
[M+NH4]+ 492.30680 224.1
[M+K]+ 513.23614 220.9
[M+H-H2O]+ 457.27024 206.3
[M+HCOO]- 519.27118 234.2
[M+CH3COO]- 533.28683 240.6
[M+Na-2H]- 495.24765 215.5
[M]+ 474.27243 227.2
[M]- 474.27353 227.2
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.