CID 44145267

94022-26-1

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

COC1=CC(=C(C=C1C2=CC=CC=C2)OC)N

InChI

InChI=1S/C14H15NO2/c1-16-13-9-12(15)14(17-2)8-11(13)10-6-4-3-5-7-10/h3-9H,15H2,1-2H3

InChIKey

ZCUNPZLHSGUNOI-UHFFFAOYSA-N

Compound name

2,5-dimethoxy-4-phenylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 229.11028 Da
Monoisotopic Mass: 2.8
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	159.1
[M-H]-	228.103004	157.5
[M+NH4]+	247.144103	168.4
[M+K]+	268.073438	155.9
[M+H-H2O]+	212.107540	143.2
[M+HCOO]-	274.108481	175.8
[M+CH3COO]-	288.124131	193.8
[M+Na-2H]-	250.084946	155.8
[M]+	229.10973142	152.0
[M]-	229.11082858	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe