CID 11141105

Chembl344509

Structural Information

Molecular Formula

C₁₆H₁₆N₂O₄

SMILES

C1C(C2=C(O1)C=C(C=C2)OCC3=CC=CC=C3)N(C(=O)N)O

InChI

InChI=1S/C16H16N2O4/c17-16(19)18(20)14-10-22-15-8-12(6-7-13(14)15)21-9-11-4-2-1-3-5-11/h1-8,14,20H,9-10H2,(H2,17,19)

InChIKey

FYAQEFBDKOWIIL-UHFFFAOYSA-N

Compound name

1-hydroxy-1-(6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-yl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 300.111 Da
Monoisotopic Mass: 1.4
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]+	301.118276	166.4
[M+Na]+	323.100218	171.9
[M-H]-	299.103724	174.3
[M+NH4]+	318.144823	181.6
[M+K]+	339.074158	170.8
[M+H-H2O]+	283.108260	158.8
[M+HCOO]-	345.109201	188.8
[M+CH3COO]-	359.124851	206.5
[M+Na-2H]-	321.085666	170.2
[M]+	300.11045142	167.1
[M]-	300.11154858	167.1

Literature stripe

literature stripe

Patent stripe

patents stripe