CID 4176156

2-((1,1'-biphenyl)-4-yloxy)-n'-cyclohexylideneacetohydrazide

Structural Information

Molecular Formula

C₂₀H₂₂N₂O₂

SMILES

C1CCC(=NNC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3)CC1

InChI

InChI=1S/C20H22N2O2/c23-20(22-21-18-9-5-2-6-10-18)15-24-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1,3-4,7-8,11-14H,2,5-6,9-10,15H2,(H,22,23)

InChIKey

VFLVNBQFLMTYPY-UHFFFAOYSA-N

Compound name

N-(cyclohexylideneamino)-2-(4-phenylphenoxy)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 322.16812 Da
Monoisotopic Mass: 4.0
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]+	323.175396	175.9
[M+Na]+	345.157338	177.8
[M-H]-	321.160844	185.1
[M+NH4]+	340.201943	188.7
[M+K]+	361.131278	173.8
[M+H-H2O]+	305.165380	165.6
[M+HCOO]-	367.166321	198.5
[M+CH3COO]-	381.181971	212.6
[M+Na-2H]-	343.142786	179.7
[M]+	322.16757142	171.4
[M]-	322.16866858	171.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.