CID 27226

15382-71-5

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

COC1=C(C=CC(=C1)N)OCC2=CC=CC=C2

InChI

InChI=1S/C14H15NO2/c1-16-14-9-12(15)7-8-13(14)17-10-11-5-3-2-4-6-11/h2-9H,10,15H2,1H3

InChIKey

QICKPCCDIZRANX-UHFFFAOYSA-N

Compound name

3-methoxy-4-phenylmethoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 76
Patents: 229.11028 Da
Monoisotopic Mass: 2.7
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]+	230.11756	150.6
[M+Na]+	252.09950	158.1
[M-H]-	228.10300	157.1
[M+NH4]+	247.14410	168.1
[M+K]+	268.07344	154.9
[M+H-H2O]+	212.10754	143.0
[M+HCOO]-	274.10848	175.8
[M+CH3COO]-	288.12413	192.6
[M+Na-2H]-	250.08495	156.6
[M]+	229.10973	151.6
[M]-	229.11083	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe