CID 81387

6950-84-1

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)N

InChI

InChI=1S/C11H10N2O/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,12,13,14)

InChIKey

FVSUYFWWFUVGRG-UHFFFAOYSA-N

Compound name

naphthalen-1-ylurea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 2326
Patents: 186.07932 Da
Monoisotopic Mass: 1.1
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]+	187.086596	137.0
[M+Na]+	209.068538	144.4
[M-H]-	185.072044	141.3
[M+NH4]+	204.113143	157.0
[M+K]+	225.042478	141.2
[M+H-H2O]+	169.076580	130.7
[M+HCOO]-	231.077521	161.8
[M+CH3COO]-	245.093171	186.5
[M+Na-2H]-	207.053986	145.3
[M]+	186.07877142	134.5
[M]-	186.07986858	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe