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 200.0
[M+Na]+ 401.29272 199.7
[M-H]- 377.29622 203.7
[M+NH4]+ 396.33732 207.7
[M+K]+ 417.26666 193.3
[M+H-H2O]+ 361.30076 187.6
[M+HCOO]- 423.30170 212.3
[M+CH3COO]- 437.31735 222.5
[M+Na-2H]- 399.27817 197.9
[M]+ 378.30295 196.0
[M]- 378.30405 196.0
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.