CID 9620695

357207-73-9

Structural Information

Molecular Formula

C₁₆H₁₄BrN₃O₂

SMILES

CC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC(=CC=C2)Br

InChI

InChI=1S/C16H14BrN3O2/c1-11-5-7-14(8-6-11)19-15(21)16(22)20-18-10-12-3-2-4-13(17)9-12/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+

InChIKey

HDUVWRIDLLHXNG-VCHYOVAHSA-N

Compound name

N'-[(E)-(3-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 359.02695 Da
Monoisotopic Mass: 3.5
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]+	360.034226	173.5
[M+Na]+	382.016168	181.6
[M-H]-	358.019674	183.4
[M+NH4]+	377.060773	189.2
[M+K]+	397.990108	169.5
[M+H-H2O]+	342.024210	169.7
[M+HCOO]-	404.025151	197.6
[M+CH3COO]-	418.040801	216.7
[M+Na-2H]-	380.001616	178.8
[M]+	359.02640142	191.1
[M]-	359.02749858	191.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.