CID 71688

Naftazone

Structural Information

Molecular Formula

C₁₁H₉N₃O₂

SMILES

C1=CC=C2C(=C1)C=CC(=C2O)N=NC(=O)N

InChI

InChI=1S/C11H9N3O2/c12-11(16)14-13-9-6-5-7-3-1-2-4-8(7)10(9)15/h1-6,15H,(H2,12,16)

InChIKey

AGSIRJFXAANBMW-UHFFFAOYSA-N

Compound name

(1-hydroxynaphthalen-2-yl)iminourea

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 20
References: 949
Patents: 215.06947 Da
Monoisotopic Mass: 2.0
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]+	216.07675	144.5
[M+Na]+	238.05869	156.0
[M+NH4]+	233.10329	152.6
[M+K]+	254.03263	150.1
[M-H]-	214.06219	148.5
[M+Na-2H]-	236.04414	151.5
[M]+	215.06892	147.0
[M]-	215.07002	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe