CID 135437901

2-(4-methylsemicarbazono)-1,2-naphthoquinone

Structural Information

Molecular Formula

C₁₂H₁₁N₃O₂

SMILES

CNC(=O)N=NC1=C(C2=CC=CC=C2C=C1)O

InChI

InChI=1S/C12H11N3O2/c1-13-12(17)15-14-10-7-6-8-4-2-3-5-9(8)11(10)16/h2-7,16H,1H3,(H,13,17)

InChIKey

RWTXWTKRMHOLMJ-UHFFFAOYSA-N

Compound name

1-(1-hydroxynaphthalen-2-yl)imino-3-methylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.08513 Da
Monoisotopic Mass: 2.4
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]+	230.092406	146.8
[M+Na]+	252.074348	154.4
[M-H]-	228.077854	153.2
[M+NH4]+	247.118953	165.9
[M+K]+	268.048288	152.4
[M+H-H2O]+	212.082390	139.5
[M+HCOO]-	274.083331	174.7
[M+CH3COO]-	288.098981	198.9
[M+Na-2H]-	250.059796	155.8
[M]+	229.08458142	147.7
[M]-	229.08567858	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.