CID 3049528

Piperazine, 1,1'-(1,6-hexanediyl)bis(4-((2,3,4-trimethoxyphenyl)methyl)-, tetrahydrochloride

Structural Information

Molecular Formula
C34H54N4O6
SMILES
COC1=C(C(=C(C=C1)CN2CCN(CC2)CCCCCCN3CCN(CC3)CC4=C(C(=C(C=C4)OC)OC)OC)OC)OC
InChI
InChI=1S/C34H54N4O6/c1-39-29-13-11-27(31(41-3)33(29)43-5)25-37-21-17-35(18-22-37)15-9-7-8-10-16-36-19-23-38(24-20-36)26-28-12-14-30(40-2)34(44-6)32(28)42-4/h11-14H,7-10,15-26H2,1-6H3
InChIKey
WOMRNMMEQGOUOQ-UHFFFAOYSA-N
Compound name
1-[(2,3,4-trimethoxyphenyl)methyl]-4-[6-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]hexyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

614.40436 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.41164 260.7
[M+Na]+ 637.39358 271.5
[M+NH4]+ 632.43818 262.8
[M+K]+ 653.36752 263.5
[M-H]- 613.39708 264.8
[M+Na-2H]- 635.37903 263.4
[M]+ 614.40381 263.1
[M]- 614.40491 263.1
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.