CID 3064821

Brn 5611399

Structural Information

Molecular Formula
C24H30N2O
SMILES
C1CC(C=C1)C2=CC=C(C=C2)OCCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C24H30N2O/c1-2-9-23(10-3-1)26-18-16-25(17-19-26)15-6-20-27-24-13-11-22(12-14-24)21-7-4-5-8-21/h1-4,7,9-14,21H,5-6,8,15-20H2
InChIKey
PEHJYXATRGZUIL-UHFFFAOYSA-N
Compound name
1-[3-(4-cyclopent-2-en-1-ylphenoxy)propyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.2358 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.24308 193.8
[M+Na]+ 385.22502 207.8
[M+NH4]+ 380.26962 202.4
[M+K]+ 401.19896 199.3
[M-H]- 361.22852 201.4
[M+Na-2H]- 383.21047 203.7
[M]+ 362.23525 198.0
[M]- 362.23635 198.0
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.