CID 3022105

Sr 41185

Structural Information

Molecular Formula

C₁₆H₁₉N₃O₂

SMILES

COC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCC(CC3)O

InChI

InChI=1S/C16H19N3O2/c1-21-14-4-2-12(3-5-14)15-6-7-16(18-17-15)19-10-8-13(20)9-11-19/h2-7,13,20H,8-11H2,1H3

InChIKey

IFJMWVNASFYBDY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 285.14774 Da
Monoisotopic Mass: 1.8
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]+	286.155016	168.5
[M+Na]+	308.136958	174.6
[M-H]-	284.140464	172.2
[M+NH4]+	303.181563	178.8
[M+K]+	324.110898	169.6
[M+H-H2O]+	268.145000	157.4
[M+HCOO]-	330.145941	183.9
[M+CH3COO]-	344.161591	177.8
[M+Na-2H]-	306.122406	172.2
[M]+	285.14719142	164.8
[M]-	285.14828858	164.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.