CID 668231

Refchem:429814

Structural Information

Molecular Formula

C₁₈H₁₆N₂O

SMILES

C1=CC=C(C=C1)CNC(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C18H16N2O/c21-18(19-13-14-7-2-1-3-8-14)20-17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2,(H2,19,20,21)

InChIKey

FWIZGBBRZIIRBG-UHFFFAOYSA-N

Compound name

1-benzyl-3-naphthalen-1-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 41
Patents: 276.12625 Da
Monoisotopic Mass: 3.0
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]+	277.133526	162.0
[M+Na]+	299.115468	167.5
[M-H]-	275.118974	169.1
[M+NH4]+	294.160073	177.9
[M+K]+	315.089408	162.4
[M+H-H2O]+	259.123510	153.4
[M+HCOO]-	321.124451	186.3
[M+CH3COO]-	335.140101	173.3
[M+Na-2H]-	297.100916	170.2
[M]+	276.12570142	160.1
[M]-	276.12679858	160.1

Literature stripe

literature stripe

Patent stripe

patents stripe