CID 69298

Malonanilide

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₂

SMILES

C1=CC=C(C=C1)NC(=O)CC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C15H14N2O2/c18-14(16-12-7-3-1-4-8-12)11-15(19)17-13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)(H,17,19)

InChIKey

YYAQOJILQOVUSK-UHFFFAOYSA-N

Compound name

N,N'-diphenylpropanediamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 820
Patents: 254.10553 Da
Monoisotopic Mass: 3.7
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]+	255.11281	157.3
[M+Na]+	277.09475	161.7
[M-H]-	253.09825	163.5
[M+NH4]+	272.13935	172.8
[M+K]+	293.06869	158.5
[M+H-H2O]+	237.10279	149.0
[M+HCOO]-	299.10373	182.3
[M+CH3COO]-	313.11938	197.8
[M+Na-2H]-	275.08020	163.2
[M]+	254.10498	155.3
[M]-	254.10608	155.3

Literature stripe

literature stripe

Patent stripe

patents stripe