CID 239526

6299-42-9

Structural Information

Molecular Formula

C₁₇H₁₄N₂O

SMILES

C1=CC=C(C=C1)NC(=O)NC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H14N2O/c20-17(18-15-8-2-1-3-9-15)19-16-11-10-13-6-4-5-7-14(13)12-16/h1-12H,(H2,18,19,20)

InChIKey

MLWGGCOCOBXOFA-UHFFFAOYSA-N

Compound name

1-naphthalen-2-yl-3-phenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 29
Patents: 262.11063 Da
Monoisotopic Mass: 3.7
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]+	263.11791	160.6
[M+Na]+	285.09985	175.1
[M+NH4]+	280.14445	170.1
[M+K]+	301.07379	166.1
[M-H]-	261.10335	167.4
[M+Na-2H]-	283.08530	171.2
[M]+	262.11008	164.7
[M]-	262.11118	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe