CID 443080

251917-79-0

Structural Information

Molecular Formula

C₁₈H₁₆N₂O₂

SMILES

COC1=CC=CC=C1NC(=O)NC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H16N2O2/c1-22-17-9-5-4-8-16(17)20-18(21)19-15-11-10-13-6-2-3-7-14(13)12-15/h2-12H,1H3,(H2,19,20,21)

InChIKey

ISADADAHPHHLEM-UHFFFAOYSA-N

Compound name

1-(2-methoxyphenyl)-3-naphthalen-2-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 36
Patents: 292.1212 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]+	293.12848	168.2
[M+Na]+	315.11042	182.3
[M+NH4]+	310.15502	177.0
[M+K]+	331.08436	173.9
[M-H]-	291.11392	174.6
[M+Na-2H]-	313.09587	177.9
[M]+	292.12065	172.1
[M]-	292.12175	172.1

Literature stripe

literature stripe

Patent stripe

patents stripe