CID 3080589

Azaperol

Structural Information

Molecular Formula

C₁₉H₂₄FN₃O

SMILES

C1CN(CCN1CCCC(C2=CC=C(C=C2)F)O)C3=CC=CC=N3

InChI

InChI=1S/C19H24FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10,18,24H,3-4,11-15H2

InChIKey

LVXYAFNPMXCRJI-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 4
Patents: 329.19034 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	330.19762	182.3
[M+Na]+	352.17956	194.9
[M+NH4]+	347.22416	188.6
[M+K]+	368.15350	187.0
[M-H]-	328.18306	185.2
[M+Na-2H]-	350.16501	189.9
[M]+	329.18979	184.7
[M]-	329.19089	184.7

Literature stripe

literature stripe

Patent stripe

patents stripe