CID 150059

N-acetyl-o-dianisidine

Structural Information

Molecular Formula

C₁₆H₁₈N₂O₃

SMILES

CC(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)N)OC)OC

InChI

InChI=1S/C16H18N2O3/c1-10(19)18-14-7-5-12(9-16(14)21-3)11-4-6-13(17)15(8-11)20-2/h4-9H,17H2,1-3H3,(H,18,19)

InChIKey

RBLSUCJLAWMIHD-UHFFFAOYSA-N

Compound name

N-[4-(4-amino-3-methoxyphenyl)-2-methoxyphenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 286.13174 Da
Monoisotopic Mass: 2.0
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]+	287.13902	166.3
[M+Na]+	309.12096	173.8
[M-H]-	285.12446	173.3
[M+NH4]+	304.16556	181.5
[M+K]+	325.09490	171.0
[M+H-H2O]+	269.12900	158.2
[M+HCOO]-	331.12994	191.2
[M+CH3COO]-	345.14559	207.9
[M+Na-2H]-	307.10641	168.9
[M]+	286.13119	168.1
[M]-	286.13229	168.1

Literature stripe

literature stripe

Patent stripe

patents stripe