CID 19062

3544-23-8

Structural Information

Molecular Formula

C₁₃H₁₃N₃O

SMILES

COC1=C(C=CC(=C1)N=NC2=CC=CC=C2)N

InChI

InChI=1S/C13H13N3O/c1-17-13-9-11(7-8-12(13)14)16-15-10-5-3-2-4-6-10/h2-9H,14H2,1H3

InChIKey

BQDAFHDHPLPCLC-UHFFFAOYSA-N

Compound name

2-methoxy-4-phenyldiazenylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 75
Patents: 227.10587 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]+	228.11315	148.6
[M+Na]+	250.09509	156.1
[M-H]-	226.09859	158.0
[M+NH4]+	245.13969	166.9
[M+K]+	266.06903	153.7
[M+H-H2O]+	210.10313	140.0
[M+HCOO]-	272.10407	179.2
[M+CH3COO]-	286.11972	201.1
[M+Na-2H]-	248.08054	156.8
[M]+	227.10532	149.4
[M]-	227.10642	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe