CID 2747418

Maybridge3_007572

Structural Information

Molecular Formula

C₂₀H₂₄N₂O₃S

SMILES

CCOC(=O)C1CCN(CC1)CC2=CC(=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H24N2O3S/c1-2-25-20(24)16-8-10-22(11-9-16)14-15-5-3-6-17(13-15)21-19(23)18-7-4-12-26-18/h3-7,12-13,16H,2,8-11,14H2,1H3,(H,21,23)

InChIKey

NMMFZLTWQXIBLB-UHFFFAOYSA-N

Compound name

ethyl 1-[[3-(thiophene-2-carbonylamino)phenyl]methyl]piperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 372.15076 Da
Monoisotopic Mass: 3.3
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]+	373.158036	189.1
[M+Na]+	395.139978	192.3
[M-H]-	371.143484	196.5
[M+NH4]+	390.184583	201.2
[M+K]+	411.113918	188.0
[M+H-H2O]+	355.148020	180.2
[M+HCOO]-	417.148961	203.2
[M+CH3COO]-	431.164611	215.1
[M+Na-2H]-	393.125426	185.7
[M]+	372.15021142	188.8
[M]-	372.15130858	188.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.