CID 6445527

Penten-3-ol, 1-phenyl-5-(4-(2-pyridyl)piperazinyl)-

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]+ 324.207046 180.8
[M+Na]+ 346.188988 183.3
[M-H]- 322.192494 183.0
[M+NH4]+ 341.233593 188.8
[M+K]+ 362.162928 176.7
[M+H-H2O]+ 306.197030 168.8
[M+HCOO]- 368.197971 193.8
[M+CH3COO]- 382.213621 187.7
[M+Na-2H]- 344.174436 182.8
[M]+ 323.19922142 174.8
[M]- 323.20031858 174.8
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.