CID 3049526

Piperazine, 1,1'-(1,4-butanediyl)bis(4-((2,3,4-trimethoxyphenyl)methyl)-, (z)-2-butenedioate (1:4)

Structural Information

Molecular Formula
C32H50N4O6
SMILES
COC1=C(C(=C(C=C1)CN2CCN(CC2)CCCCN3CCN(CC3)CC4=C(C(=C(C=C4)OC)OC)OC)OC)OC
InChI
InChI=1S/C32H50N4O6/c1-37-27-11-9-25(29(39-3)31(27)41-5)23-35-19-15-33(16-20-35)13-7-8-14-34-17-21-36(22-18-34)24-26-10-12-28(38-2)32(42-6)30(26)40-4/h9-12H,7-8,13-24H2,1-6H3
InChIKey
HSZHUYSBMJIHGV-UHFFFAOYSA-N
Compound name
1-[(2,3,4-trimethoxyphenyl)methyl]-4-[4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

586.37305 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.38033 252.4
[M+Na]+ 609.36227 263.7
[M+NH4]+ 604.40687 254.9
[M+K]+ 625.33621 256.1
[M-H]- 585.36577 256.6
[M+Na-2H]- 607.34772 255.6
[M]+ 586.37250 254.9
[M]- 586.37360 254.9
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.