CID 3058986

75883-75-9

Structural Information

Molecular Formula

C₁₇H₂₃N₃O₃

SMILES

CNC(=O)NC1=C(C=C2C(=C1)C=CO2)OCCN3CCCCC3

InChI

InChI=1S/C17H23N3O3/c1-18-17(21)19-14-11-13-5-9-22-15(13)12-16(14)23-10-8-20-6-3-2-4-7-20/h5,9,11-12H,2-4,6-8,10H2,1H3,(H2,18,19,21)

InChIKey

RWEMXXWZEBYASG-UHFFFAOYSA-N

Compound name

1-methyl-3-[6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 317.17395 Da
Monoisotopic Mass: 2.2
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]+	318.18123	172.8
[M+Na]+	340.16317	177.3
[M-H]-	316.16667	179.1
[M+NH4]+	335.20777	186.5
[M+K]+	356.13711	175.0
[M+H-H2O]+	300.17121	163.9
[M+HCOO]-	362.17215	193.5
[M+CH3COO]-	376.18780	209.3
[M+Na-2H]-	338.14862	177.1
[M]+	317.17340	173.0
[M]-	317.17450	173.0

Literature stripe

literature stripe

Patent stripe

patents stripe