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]+ 363.243076 190.6
[M+Na]+ 385.225018 192.8
[M-H]- 361.228524 198.5
[M+NH4]+ 380.269623 200.7
[M+K]+ 401.198958 186.3
[M+H-H2O]+ 345.233060 178.2
[M+HCOO]- 407.234001 206.6
[M+CH3COO]- 421.249651 198.2
[M+Na-2H]- 383.210466 189.4
[M]+ 362.23525142 185.7
[M]- 362.23634858 185.7
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.