CID 153704

(4'-hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C13H12N2O2/c1-7-6-10(17)13(15)11(12(7)14)8-2-4-9(16)5-3-8/h2-6,14,16H,15H2,1H3

InChIKey

BYGHPYOMCIKWKP-UHFFFAOYSA-N

Compound name

2-amino-3-(4-hydroxyphenyl)-4-imino-5-methylcyclohexa-2,5-dien-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 228.08987 Da
Monoisotopic Mass: 1.3
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]+	229.097146	149.5
[M+Na]+	251.079088	158.6
[M-H]-	227.082594	155.6
[M+NH4]+	246.123693	166.7
[M+K]+	267.053028	153.9
[M+H-H2O]+	211.087130	142.8
[M+HCOO]-	273.088071	173.4
[M+CH3COO]-	287.103721	194.8
[M+Na-2H]-	249.064536	152.7
[M]+	228.08932142	146.0
[M]-	228.09041858	146.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.