CID 3064085

101975-95-5

Structural Information

Molecular Formula
C26H38N2
SMILES
CCC(CCC1=CC=CC=C1)N2CCN(CC2)C(CC)CCC3=CC=CC=C3
InChI
InChI=1S/C26H38N2/c1-3-25(17-15-23-11-7-5-8-12-23)27-19-21-28(22-20-27)26(4-2)18-16-24-13-9-6-10-14-24/h5-14,25-26H,3-4,15-22H2,1-2H3
InChIKey
IBVRBAQKECGTFA-UHFFFAOYSA-N
Compound name
1,4-bis(1-phenylpentan-3-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.3035 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.31078 201.4
[M+Na]+ 401.29272 214.3
[M+NH4]+ 396.33732 209.2
[M+K]+ 417.26666 204.2
[M-H]- 377.29622 207.3
[M+Na-2H]- 399.27817 209.5
[M]+ 378.30295 205.0
[M]- 378.30405 205.0
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.