CID 3064092

101975-99-9

Structural Information

Molecular Formula
C24H34N2
SMILES
CC(CCC1=CC=CC=C1)N2CCN(CC2)C(C)CCC3=CC=CC=C3
InChI
InChI=1S/C24H34N2/c1-21(13-15-23-9-5-3-6-10-23)25-17-19-26(20-18-25)22(2)14-16-24-11-7-4-8-12-24/h3-12,21-22H,13-20H2,1-2H3
InChIKey
FPFYHJWMPYYKON-UHFFFAOYSA-N
Compound name
1,4-bis(4-phenylbutan-2-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.2722 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.27948 191.3
[M+Na]+ 373.26142 191.8
[M-H]- 349.26492 195.4
[M+NH4]+ 368.30602 200.2
[M+K]+ 389.23536 185.9
[M+H-H2O]+ 333.26946 179.3
[M+HCOO]- 395.27040 204.3
[M+CH3COO]- 409.28605 216.7
[M+Na-2H]- 371.24687 190.3
[M]+ 350.27165 186.7
[M]- 350.27275 186.7
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.