CID 9600027

N'-benzylidene-2-(2-isopropyl-5-methylphenoxy)acetohydrazide

Structural Information

Molecular Formula

C₁₉H₂₂N₂O₂

SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N/N=C/C2=CC=CC=C2

InChI

InChI=1S/C19H22N2O2/c1-14(2)17-10-9-15(3)11-18(17)23-13-19(22)21-20-12-16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,21,22)/b20-12+

InChIKey

MSAAFIXODUWHQO-UDWIEESQSA-N

Compound name

N-[(E)-benzylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 310.16812 Da
Monoisotopic Mass: 4.4
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]+	311.175396	175.7
[M+Na]+	333.157338	180.7
[M-H]-	309.160844	183.3
[M+NH4]+	328.201943	190.3
[M+K]+	349.131278	177.5
[M+H-H2O]+	293.165380	166.7
[M+HCOO]-	355.166321	200.7
[M+CH3COO]-	369.181971	214.6
[M+Na-2H]-	331.142786	178.4
[M]+	310.16757142	177.8
[M]-	310.16866858	177.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.