CID 2404841

67942-22-7

Structural Information

Molecular Formula

C₁₉H₂₂N₂O₂

SMILES

C1=CC=C(C=C1)CCNC(=O)CC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O2/c22-18(20-13-11-16-7-3-1-4-8-16)15-19(23)21-14-12-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,20,22)(H,21,23)

InChIKey

RUHYVHRJAHLOLR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 310.16812 Da
Monoisotopic Mass: 2.9
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]+	311.175396	175.4
[M+Na]+	333.157338	178.0
[M-H]-	309.160844	180.8
[M+NH4]+	328.201943	188.6
[M+K]+	349.131278	173.8
[M+H-H2O]+	293.165380	166.2
[M+HCOO]-	355.166321	199.0
[M+CH3COO]-	369.181971	209.7
[M+Na-2H]-	331.142786	179.2
[M]+	310.16757142	174.8
[M]-	310.16866858	174.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.