CID 853805

4'-anilinopropionanilide

Structural Information

Molecular Formula

C₁₅H₁₆N₂O

SMILES

CCC(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2

InChI

InChI=1S/C15H16N2O/c1-2-15(18)17-14-10-8-13(9-11-14)16-12-6-4-3-5-7-12/h3-11,16H,2H2,1H3,(H,17,18)

InChIKey

KKZALQARLVYWIO-UHFFFAOYSA-N

Compound name

N-(4-anilinophenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 21
Patents: 240.12627 Da
Monoisotopic Mass: 3.2
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]+	241.133546	154.6
[M+Na]+	263.115488	160.0
[M-H]-	239.118994	161.1
[M+NH4]+	258.160093	171.2
[M+K]+	279.089428	156.2
[M+H-H2O]+	223.123530	146.5
[M+HCOO]-	285.124471	180.1
[M+CH3COO]-	299.140121	197.4
[M+Na-2H]-	261.100936	161.0
[M]+	240.12572142	153.0
[M]-	240.12681858	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe