CID 240058

1-furfuryl-3-(1-naphthyl)urea

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)NCC3=CC=CO3

InChI

InChI=1S/C16H14N2O2/c19-16(17-11-13-7-4-10-20-13)18-15-9-3-6-12-5-1-2-8-14(12)15/h1-10H,11H2,(H2,17,18,19)

InChIKey

MLJYLJIZXVJSTL-UHFFFAOYSA-N

Compound name

1-(furan-2-ylmethyl)-3-naphthalen-1-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 266.10553 Da
Monoisotopic Mass: 2.8
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]+	267.112806	158.2
[M+Na]+	289.094748	165.6
[M-H]-	265.098254	166.9
[M+NH4]+	284.139353	175.4
[M+K]+	305.068688	162.5
[M+H-H2O]+	249.102790	150.6
[M+HCOO]-	311.103731	184.8
[M+CH3COO]-	325.119381	171.1
[M+Na-2H]-	287.080196	166.5
[M]+	266.10498142	160.0
[M]-	266.10607858	160.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.