CID 3064083

F 235

Structural Information

Molecular Formula
C28H42N2O2
SMILES
CCC(CCC1=CC=C(C=C1)OC)N2CCN(CC2)C(CC)CCC3=CC=C(C=C3)OC
InChI
InChI=1S/C28H42N2O2/c1-5-25(13-7-23-9-15-27(31-3)16-10-23)29-19-21-30(22-20-29)26(6-2)14-8-24-11-17-28(32-4)18-12-24/h9-12,15-18,25-26H,5-8,13-14,19-22H2,1-4H3
InChIKey
FFHQPARIWHXSCX-UHFFFAOYSA-N
Compound name
1,4-bis[1-(4-methoxyphenyl)pentan-3-yl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.32462 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.33190 215.8
[M+Na]+ 461.31384 228.0
[M+NH4]+ 456.35844 222.0
[M+K]+ 477.28778 218.9
[M-H]- 437.31734 220.7
[M+Na-2H]- 459.29929 222.0
[M]+ 438.32407 218.9
[M]- 438.32517 218.9
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.