CID 14157

Mandelamide, n-(4,6-dimethyl-2-pyridyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₅H₁₆N₂O₂

SMILES

CC1=CC(=NC(=C1)NC(=O)C(C2=CC=CC=C2)O)C

InChI

InChI=1S/C15H16N2O2/c1-10-8-11(2)16-13(9-10)17-15(19)14(18)12-6-4-3-5-7-12/h3-9,14,18H,1-2H3,(H,16,17,19)

InChIKey

IBSATSCIIWZKNM-UHFFFAOYSA-N

Compound name

N-(4,6-dimethyl-2-pyridinyl)-2-hydroxy-2-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 256.1212 Da
Monoisotopic Mass: 2.2
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]+	257.128476	159.0
[M+Na]+	279.110418	165.4
[M-H]-	255.113924	163.3
[M+NH4]+	274.155023	173.5
[M+K]+	295.084358	161.8
[M+H-H2O]+	239.118460	150.8
[M+HCOO]-	301.119401	179.9
[M+CH3COO]-	315.135051	196.7
[M+Na-2H]-	277.095866	162.8
[M]+	256.12065142	158.0
[M]-	256.12174858	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe