CID 3022110

Sr 42399

Structural Information

Molecular Formula

C₁₉H₁₉N₃O

SMILES

C1CN(CCC1O)C2=NN=C(C=C2)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C19H19N3O/c23-15-10-12-22(13-11-15)19-9-8-18(20-21-19)17-7-3-5-14-4-1-2-6-16(14)17/h1-9,15,23H,10-13H2

InChIKey

JOQTXNLDECSXII-UHFFFAOYSA-N

Compound name

1-(6-naphthalen-1-ylpyridazin-3-yl)piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 305.1528 Da
Monoisotopic Mass: 3.1
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]+	306.160076	174.2
[M+Na]+	328.142018	180.3
[M-H]-	304.145524	178.3
[M+NH4]+	323.186623	184.3
[M+K]+	344.115958	173.2
[M+H-H2O]+	288.150060	162.2
[M+HCOO]-	350.151001	187.9
[M+CH3COO]-	364.166651	182.7
[M+Na-2H]-	326.127466	179.2
[M]+	305.15225142	168.6
[M]-	305.15334858	168.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.