CID 45054679

2-methyl-n-(2-(2-(1-naphthylmethylene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula

C₂₁H₁₉N₃O₂

SMILES

CC1=CC=CC=C1C(=O)NCC(=O)N/N=C/C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H19N3O2/c1-15-7-2-4-11-18(15)21(26)22-14-20(25)24-23-13-17-10-6-9-16-8-3-5-12-19(16)17/h2-13H,14H2,1H3,(H,22,26)(H,24,25)/b23-13+

InChIKey

BZCHQIOYEDPRSD-YDZHTSKRSA-N

Compound name

2-methyl-N-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 345.14774 Da
Monoisotopic Mass: 3.8
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]+	346.155016	181.2
[M+Na]+	368.136958	185.9
[M-H]-	344.140464	189.5
[M+NH4]+	363.181563	194.6
[M+K]+	384.110898	181.3
[M+H-H2O]+	328.145000	171.5
[M+HCOO]-	390.145941	206.4
[M+CH3COO]-	404.161591	222.1
[M+Na-2H]-	366.122406	186.8
[M]+	345.14719142	181.2
[M]-	345.14828858	181.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.