CID 6445527

Brn 0832504

Structural Information

Molecular Formula
C20H25N3O
SMILES
C1CN(CCN1CCC(/C=C/C2=CC=CC=C2)O)C3=CC=CC=N3
InChI
InChI=1S/C20H25N3O/c24-19(10-9-18-6-2-1-3-7-18)11-13-22-14-16-23(17-15-22)20-8-4-5-12-21-20/h1-10,12,19,24H,11,13-17H2/b10-9+
InChIKey
LDHFPUHSSYUQAA-MDZDMXLPSA-N
Compound name
(E)-1-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.19977 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20705 181.9
[M+Na]+ 346.18899 195.2
[M+NH4]+ 341.23359 188.7
[M+K]+ 362.16293 186.6
[M-H]- 322.19249 186.1
[M+Na-2H]- 344.17444 190.3
[M]+ 323.19922 184.9
[M]- 323.20032 184.9
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.