CID 9643737

2-(2-(9-anthrylmethylene)hydrazino)-n-(2-methylphenyl)-2-oxoacetamide

Structural Information

Molecular Formula

C₂₄H₁₉N₃O₂

SMILES

CC1=CC=CC=C1NC(=O)C(=O)N/N=C/C2=C3C=CC=CC3=CC4=CC=CC=C42

InChI

InChI=1S/C24H19N3O2/c1-16-8-2-7-13-22(16)26-23(28)24(29)27-25-15-21-19-11-5-3-9-17(19)14-18-10-4-6-12-20(18)21/h2-15H,1H3,(H,26,28)(H,27,29)/b25-15+

InChIKey

FXNBLUDCXNDMAF-MFKUBSTISA-N

Compound name

N'-[(E)-anthracen-9-ylmethylideneamino]-N-(2-methylphenyl)oxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 381.14774 Da
Monoisotopic Mass: 5.3
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]+	382.155016	189.5
[M+Na]+	404.136958	195.9
[M-H]-	380.140464	199.0
[M+NH4]+	399.181563	202.4
[M+K]+	420.110898	190.2
[M+H-H2O]+	364.145000	179.1
[M+HCOO]-	426.145941	214.4
[M+CH3COO]-	440.161591	199.5
[M+Na-2H]-	402.122406	197.0
[M]+	381.14719142	190.8
[M]-	381.14828858	190.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.