CID 1486276

28272-93-7

Structural Information

Molecular Formula

C₁₅H₁₂Cl₂N₂O₂

SMILES

C1=CC=C(C(=C1)NC(=O)CC(=O)NC2=CC=CC=C2Cl)Cl

InChI

InChI=1S/C15H12Cl2N2O2/c16-10-5-1-3-7-12(10)18-14(20)9-15(21)19-13-8-4-2-6-11(13)17/h1-8H,9H2,(H,18,20)(H,19,21)

InChIKey

RFCMRQCFUIALCR-UHFFFAOYSA-N

Compound name

N,N'-bis(2-chlorophenyl)propanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 10
Patents: 322.0276 Da
Monoisotopic Mass: 4.5
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]+	323.03488	170.9
[M+Na]+	345.01682	184.6
[M+NH4]+	340.06142	178.7
[M+K]+	360.99076	176.6
[M-H]-	321.02032	175.4
[M+Na-2H]-	343.00227	179.2
[M]+	322.02705	174.6
[M]-	322.02815	174.6

Literature stripe

literature stripe

Patent stripe

patents stripe