CID 9639105

N-(2-(2-(4-methylbenzylidene)hydrazino)-2-oxoethyl)-4-propoxybenzamide

Structural Information

Molecular Formula

C₂₀H₂₃N₃O₃

SMILES

CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)C

InChI

InChI=1S/C20H23N3O3/c1-3-12-26-18-10-8-17(9-11-18)20(25)21-14-19(24)23-22-13-16-6-4-15(2)5-7-16/h4-11,13H,3,12,14H2,1-2H3,(H,21,25)(H,23,24)/b22-13+

InChIKey

GVYXADQNHIRDFV-LPYMAVHISA-N

Compound name

N-[2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 353.17395 Da
Monoisotopic Mass: 3.4
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]+	354.181226	185.6
[M+Na]+	376.163168	189.4
[M-H]-	352.166674	193.0
[M+NH4]+	371.207773	197.9
[M+K]+	392.137108	186.2
[M+H-H2O]+	336.171210	175.7
[M+HCOO]-	398.172151	211.7
[M+CH3COO]-	412.187801	223.5
[M+Na-2H]-	374.148616	188.3
[M]+	353.17340142	187.9
[M]-	353.17449858	187.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.