CID 80545

4-amino-2,5-dimethoxyazobenzene

Structural Information

Molecular Formula

C₁₄H₁₅N₃O₂

SMILES

COC1=CC(=C(C=C1N)OC)N=NC2=CC=CC=C2

InChI

InChI=1S/C14H15N3O2/c1-18-13-9-12(14(19-2)8-11(13)15)17-16-10-6-4-3-5-7-10/h3-9H,15H2,1-2H3

InChIKey

WAMNCBOYTXKHGN-UHFFFAOYSA-N

Compound name

2,5-dimethoxy-4-phenyldiazenylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 184
Patents: 257.11642 Da
Monoisotopic Mass: 3.0
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]+	258.123696	156.7
[M+Na]+	280.105638	164.5
[M-H]-	256.109144	166.2
[M+NH4]+	275.150243	174.0
[M+K]+	296.079578	162.6
[M+H-H2O]+	240.113680	147.8
[M+HCOO]-	302.114621	187.1
[M+CH3COO]-	316.130271	207.5
[M+Na-2H]-	278.091086	163.6
[M]+	257.11587142	159.6
[M]-	257.11696858	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe