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 215.6
[M+Na]+ 461.31384 215.9
[M-H]- 437.31734 219.7
[M+NH4]+ 456.35844 221.2
[M+K]+ 477.28778 210.6
[M+H-H2O]+ 421.32188 202.8
[M+HCOO]- 483.32282 227.5
[M+CH3COO]- 497.33847 234.6
[M+Na-2H]- 459.29929 211.1
[M]+ 438.32407 215.9
[M]- 438.32517 215.9
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.