CID 16729505

Chembl242761

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₂

SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)C2=COC=C2

InChI

InChI=1S/C14H16N2O2/c1-16(2)13-5-3-11(4-6-13)9-15-14(17)12-7-8-18-10-12/h3-8,10H,9H2,1-2H3,(H,15,17)

InChIKey

YRCGNRJGPUUXSQ-UHFFFAOYSA-N

Compound name

N-[[4-(dimethylamino)phenyl]methyl]furan-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 244.12119 Da
Monoisotopic Mass: 1.9
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]+	245.128466	156.9
[M+Na]+	267.110408	162.7
[M-H]-	243.113914	165.7
[M+NH4]+	262.155013	174.5
[M+K]+	283.084348	162.2
[M+H-H2O]+	227.118450	149.2
[M+HCOO]-	289.119391	183.3
[M+CH3COO]-	303.135041	199.8
[M+Na-2H]-	265.095856	161.3
[M]+	244.12064142	159.0
[M]-	244.12173858	159.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.