CID 21149831

94256-58-3

Structural Information

Molecular Formula

C₁₉H₁₇NO

SMILES

C1=CC=C(C=C1)CC(C2=CC=CC=C2)(C3=CN=CC=C3)O

InChI

InChI=1S/C19H17NO/c21-19(17-10-5-2-6-11-17,18-12-7-13-20-15-18)14-16-8-3-1-4-9-16/h1-13,15,21H,14H2

InChIKey

ZOYHSJCQCSHSDN-UHFFFAOYSA-N

Compound name

1,2-diphenyl-1-pyridin-3-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 275.131 Da
Monoisotopic Mass: 3.0
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]+	276.138276	164.9
[M+Na]+	298.120218	170.6
[M-H]-	274.123724	171.3
[M+NH4]+	293.164823	177.9
[M+K]+	314.094158	164.6
[M+H-H2O]+	258.128260	155.6
[M+HCOO]-	320.129201	184.5
[M+CH3COO]-	334.144851	175.4
[M+Na-2H]-	296.105666	173.1
[M]+	275.13045142	162.4
[M]-	275.13154858	162.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe