CID 10596161

194416-45-0

Structural Information

Molecular Formula

C₂₀H₁₈BrNO₂

SMILES

COC1=CC=C(C=C1)N(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H18BrNO2/c1-23-19-11-7-17(8-12-19)22(16-5-3-15(21)4-6-16)18-9-13-20(24-2)14-10-18/h3-14H,1-2H3

InChIKey

XXCDCFFPMMCPEE-UHFFFAOYSA-N

Compound name

N-(4-bromophenyl)-4-methoxy-N-(4-methoxyphenyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 383.0521 Da
Monoisotopic Mass: 5.8
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]+	384.05938	183.3
[M+Na]+	406.04132	192.5
[M-H]-	382.04482	196.2
[M+NH4]+	401.08592	198.6
[M+K]+	422.01526	181.6
[M+H-H2O]+	366.04936	179.9
[M+HCOO]-	428.05030	205.8
[M+CH3COO]-	442.06595	219.4
[M+Na-2H]-	404.02677	188.4
[M]+	383.05155	204.3
[M]-	383.05265	204.3

Literature stripe

literature stripe

Patent stripe

patents stripe