CID 3103

Diphenylpyraline

Structural Information

Molecular Formula

C₁₉H₂₃NO

SMILES

CN1CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3

InChIKey

OWQUZNMMYNAXSL-UHFFFAOYSA-N

Compound name

4-benzhydryloxy-1-methylpiperidine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 82
References: 8433
Patents: 281.17798 Da
Monoisotopic Mass: 3.9
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]+	282.185256	168.2
[M+Na]+	304.167198	171.3
[M-H]-	280.170704	174.9
[M+NH4]+	299.211803	181.5
[M+K]+	320.141138	166.9
[M+H-H2O]+	264.175240	158.0
[M+HCOO]-	326.176181	185.7
[M+CH3COO]-	340.191831	177.8
[M+Na-2H]-	302.152646	171.0
[M]+	281.17743142	163.5
[M]-	281.17852858	163.5

Literature stripe

literature stripe

Patent stripe

patents stripe