CID 6446869

4-farnesyl-1-(4-methyl-1-piperazinylacetyl)piperazine

Structural Information

Molecular Formula
C26H46N4O
SMILES
CC(=CCC/C(=C/CC/C(=C/CN1CCN(CC1)CC(=O)N2CCN(CC2)C)/C)/C)C
InChI
InChI=1S/C26H46N4O/c1-23(2)8-6-9-24(3)10-7-11-25(4)12-13-28-16-18-29(19-17-28)22-26(31)30-20-14-27(5)15-21-30/h8,10,12H,6-7,9,11,13-22H2,1-5H3/b24-10+,25-12+
InChIKey
BUTXJOWQBTXZRX-AIXGURBPSA-N
Compound name
1-(4-methylpiperazin-1-yl)-2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.36716 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.37444 216.7
[M+Na]+ 453.35638 214.3
[M-H]- 429.35988 214.0
[M+NH4]+ 448.40098 220.3
[M+K]+ 469.33032 208.4
[M+H-H2O]+ 413.36442 204.8
[M+HCOO]- 475.36536 220.0
[M+CH3COO]- 489.38101 232.5
[M+Na-2H]- 451.34183 206.9
[M]+ 430.36661 210.2
[M]- 430.36771 210.2
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.