CID 3064090

101975-98-8

Structural Information

Molecular Formula
C28H42N2
SMILES
CC(CCCCC1=CC=CC=C1)N2CCN(CC2)C(C)CCCCC3=CC=CC=C3
InChI
InChI=1S/C28H42N2/c1-25(13-9-11-19-27-15-5-3-6-16-27)29-21-23-30(24-22-29)26(2)14-10-12-20-28-17-7-4-8-18-28/h3-8,15-18,25-26H,9-14,19-24H2,1-2H3
InChIKey
NLRIRPBIYSDUSJ-UHFFFAOYSA-N
Compound name
1,4-bis(6-phenylhexan-2-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.3348 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.34208 208.7
[M+Na]+ 429.32402 207.4
[M-H]- 405.32752 212.0
[M+NH4]+ 424.36862 215.2
[M+K]+ 445.29796 200.5
[M+H-H2O]+ 389.33206 195.8
[M+HCOO]- 451.33300 220.3
[M+CH3COO]- 465.34865 228.3
[M+Na-2H]- 427.30947 205.5
[M]+ 406.33425 205.3
[M]- 406.33535 205.3
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.