CID 214522

Anc 39

Structural Information

Molecular Formula

C₂₀H₁₇NO₃

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)OCC3=CC=CC=N3)O

InChI

InChI=1S/C20H17NO3/c22-19(24-15-18-13-7-8-14-21-18)20(23,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,23H,15H2

InChIKey

JLNWMZBSQCKPST-UHFFFAOYSA-N

Compound name

pyridin-2-ylmethyl 2-hydroxy-2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 319.12085 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]+	320.128126	175.1
[M+Na]+	342.110068	180.0
[M-H]-	318.113574	181.5
[M+NH4]+	337.154673	186.0
[M+K]+	358.084008	175.2
[M+H-H2O]+	302.118110	165.3
[M+HCOO]-	364.119051	194.0
[M+CH3COO]-	378.134701	202.1
[M+Na-2H]-	340.095516	181.7
[M]+	319.12030142	174.3
[M]-	319.12139858	174.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.