CID 90399

24206-68-6

Structural Information

Molecular Formula

C₁₆H₁₇NO₂

SMILES

C1=CC=C(C=C1)CNCCC(=O)C2=CC=CC=C2O

InChI

InChI=1S/C16H17NO2/c18-15-9-5-4-8-14(15)16(19)10-11-17-12-13-6-2-1-3-7-13/h1-9,17-18H,10-12H2

InChIKey

GRGHCTYXHBHNLO-UHFFFAOYSA-N

Compound name

3-(benzylamino)-1-(2-hydroxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.12593 Da
Monoisotopic Mass: 3.1
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	158.7
[M+Na]+	278.115148	164.0
[M-H]-	254.118654	163.7
[M+NH4]+	273.159753	174.2
[M+K]+	294.089088	159.6
[M+H-H2O]+	238.123190	150.9
[M+HCOO]-	300.124131	181.6
[M+CH3COO]-	314.139781	195.6
[M+Na-2H]-	276.100596	163.7
[M]+	255.12538142	157.8
[M]-	255.12647858	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.