CID 2814232

Maybridge4_001697

Structural Information

Molecular Formula

C₁₆H₁₉N₃OS

SMILES

C1CCN(CC1)C2=CC=CC=C2NC(=O)NC3=CC=CS3

InChI

InChI=1S/C16H19N3OS/c20-16(18-15-9-6-12-21-15)17-13-7-2-3-8-14(13)19-10-4-1-5-11-19/h2-3,6-9,12H,1,4-5,10-11H2,(H2,17,18,20)

InChIKey

JDYVNBPPDAQWND-UHFFFAOYSA-N

Compound name

1-(2-piperidin-1-ylphenyl)-3-thiophen-2-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 301.12488 Da
Monoisotopic Mass: 3.5
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]+	302.132156	167.5
[M+Na]+	324.114098	171.4
[M-H]-	300.117604	175.2
[M+NH4]+	319.158703	182.4
[M+K]+	340.088038	166.6
[M+H-H2O]+	284.122140	158.8
[M+HCOO]-	346.123081	184.5
[M+CH3COO]-	360.138731	177.5
[M+Na-2H]-	322.099546	168.4
[M]+	301.12433142	163.4
[M]-	301.12542858	163.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.