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

2
Annotation Hits: 0
References: 45
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]+	228.113146	149.2
[M+Na]+	250.095088	157.3
[M-H]-	226.098594	157.6
[M+NH4]+	245.139693	167.2
[M+K]+	266.069028	154.1
[M+H-H2O]+	210.103130	141.2
[M+HCOO]-	272.104071	178.3
[M+CH3COO]-	286.119721	199.9
[M+Na-2H]-	248.080536	156.2
[M]+	227.10532142	148.6
[M]-	227.10641858	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe