CID 65835

Lodaxaprine

Structural Information

Molecular Formula

C₁₅H₁₆ClN₃O

SMILES

C1CN(CCC1O)C2=NN=C(C=C2)C3=CC=CC=C3Cl

InChI

InChI=1S/C15H16ClN3O/c16-13-4-2-1-3-12(13)14-5-6-15(18-17-14)19-9-7-11(20)8-10-19/h1-6,11,20H,7-10H2

InChIKey

USEZRIFSJXAMJD-UHFFFAOYSA-N

Compound name

1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 35
Patents: 289.09818 Da
Monoisotopic Mass: 2.5
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]+	290.10546	166.8
[M+Na]+	312.08740	183.0
[M+NH4]+	307.13200	175.1
[M+K]+	328.06134	174.3
[M-H]-	288.09090	171.8
[M+Na-2H]-	310.07285	176.6
[M]+	289.09763	170.9
[M]-	289.09873	170.9

Literature stripe

literature stripe

Patent stripe

patents stripe