CID 16651460

Refchem:829409

Structural Information

Molecular Formula

C₁₆H₁₈ClNO₂

SMILES

CCCCNC(=O)C1=C(OC(=C1)C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C16H18ClNO2/c1-3-4-9-18-16(19)14-10-15(20-11(14)2)12-5-7-13(17)8-6-12/h5-8,10H,3-4,9H2,1-2H3,(H,18,19)

InChIKey

CLUBGWFVWXNLHE-UHFFFAOYSA-N

Compound name

N-butyl-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 291.1026 Da
Monoisotopic Mass: 4.2
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]+	292.109876	169.7
[M+Na]+	314.091818	178.1
[M-H]-	290.095324	177.3
[M+NH4]+	309.136423	186.7
[M+K]+	330.065758	173.8
[M+H-H2O]+	274.099860	163.4
[M+HCOO]-	336.100801	189.2
[M+CH3COO]-	350.116451	203.4
[M+Na-2H]-	312.077266	171.3
[M]+	291.10205142	174.9
[M]-	291.10314858	174.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.