CID 4282702

3-((4-methoxyphenyl)amino)propiophenone

Structural Information

Molecular Formula

C₁₆H₁₇NO₂

SMILES

COC1=CC=C(C=C1)NCCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H17NO2/c1-19-15-9-7-14(8-10-15)17-12-11-16(18)13-5-3-2-4-6-13/h2-10,17H,11-12H2,1H3

InChIKey

YWCJCWNTKMVVTF-UHFFFAOYSA-N

Compound name

3-(4-methoxyanilino)-1-phenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.12593 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]+	256.133206	158.6
[M+Na]+	278.115148	164.3
[M-H]-	254.118654	164.9
[M+NH4]+	273.159753	174.8
[M+K]+	294.089088	160.9
[M+H-H2O]+	238.123190	150.5
[M+HCOO]-	300.124131	183.0
[M+CH3COO]-	314.139781	198.1
[M+Na-2H]-	276.100596	164.0
[M]+	255.12538142	159.6
[M]-	255.12647858	159.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.