CID 64424174

3-benzoyl-4-methoxyaniline hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₃NO₂

SMILES

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

InChI

InChI=1S/C14H13NO2/c1-17-13-8-7-11(15)9-12(13)14(16)10-5-3-2-4-6-10/h2-9H,15H2,1H3

InChIKey

CWBOUNYPCOGQQD-UHFFFAOYSA-N

Compound name

(5-amino-2-methoxyphenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 227.09464 Da
Monoisotopic Mass: 2.2
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]+	228.101916	149.8
[M+Na]+	250.083858	157.4
[M-H]-	226.087364	156.5
[M+NH4]+	245.128463	167.3
[M+K]+	266.057798	154.1
[M+H-H2O]+	210.091900	142.4
[M+HCOO]-	272.092841	174.3
[M+CH3COO]-	286.108491	192.7
[M+Na-2H]-	248.069306	154.6
[M]+	227.09409142	149.5
[M]-	227.09518858	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe