CID 68837819

2-(benzyloxy)-4-methoxyaniline

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

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

InChI

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

InChIKey

UJUHFHOHLITYEV-UHFFFAOYSA-N

Compound name

4-methoxy-2-phenylmethoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
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]+	230.117556	150.6
[M+Na]+	252.099498	158.1
[M-H]-	228.103004	157.1
[M+NH4]+	247.144103	168.1
[M+K]+	268.073438	154.9
[M+H-H2O]+	212.107540	143.0
[M+HCOO]-	274.108481	175.8
[M+CH3COO]-	288.124131	192.6
[M+Na-2H]-	250.084946	156.6
[M]+	229.10973142	151.6
[M]-	229.11082858	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe