CID 5209725

877459-11-5

Structural Information

Molecular Formula

C₂₃H₁₉N₃O₂

SMILES

C1=CC=C(C=C1)COC2=C(N=CC=C2)NC(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H19N3O2/c27-23(25-20-13-6-11-18-10-4-5-12-19(18)20)26-22-21(14-7-15-24-22)28-16-17-8-2-1-3-9-17/h1-15H,16H2,(H2,24,25,26,27)

InChIKey

ZOSDHIMKMQDBRY-UHFFFAOYSA-N

Compound name

1-naphthalen-1-yl-3-(3-phenylmethoxypyridin-2-yl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 369.14774 Da
Monoisotopic Mass: 4.5
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]+	370.15502	186.1
[M+Na]+	392.13696	191.1
[M-H]-	368.14046	194.5
[M+NH4]+	387.18156	196.1
[M+K]+	408.11090	184.9
[M+H-H2O]+	352.14500	174.5
[M+HCOO]-	414.14594	208.4
[M+CH3COO]-	428.16159	195.2
[M+Na-2H]-	390.12241	193.7
[M]+	369.14719	185.2
[M]-	369.14829	185.2

Literature stripe

literature stripe

Patent stripe

patents stripe