CID 117611

25717-11-7

Structural Information

Molecular Formula

C₁₃H₁₃N₃O

SMILES

CC1=CC(=C(C=C1)O)N=NC2=CC=C(C=C2)N

InChI

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

InChIKey

ZYDVITSLUNFSSH-UHFFFAOYSA-N

Compound name

2-[(4-aminophenyl)diazenyl]-4-methylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
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	151.1
[M+Na]+	250.09509	164.4
[M+NH4]+	245.13969	159.7
[M+K]+	266.06903	156.9
[M-H]-	226.09859	157.7
[M+Na-2H]-	248.08054	160.9
[M]+	227.10532	154.8
[M]-	227.10642	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe