CID 24212550

853312-35-3

Structural Information

Molecular Formula

C₁₆H₁₈ClNO₂

SMILES

CC(C)NC(=O)CCC1=CC=C(O1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H18ClNO2/c1-11(2)18-16(19)10-8-14-7-9-15(20-14)12-3-5-13(17)6-4-12/h3-7,9,11H,8,10H2,1-2H3,(H,18,19)

InChIKey

QYIQPMSISSMOLF-UHFFFAOYSA-N

Compound name

3-[5-(4-chlorophenyl)furan-2-yl]-N-propan-2-ylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 291.1026 Da
Monoisotopic Mass: 3.6
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	170.1
[M+Na]+	314.091818	177.4
[M-H]-	290.095324	177.5
[M+NH4]+	309.136423	186.7
[M+K]+	330.065758	173.5
[M+H-H2O]+	274.099860	163.7
[M+HCOO]-	336.100801	188.7
[M+CH3COO]-	350.116451	203.1
[M+Na-2H]-	312.077266	171.3
[M]+	291.10205142	174.4
[M]-	291.10314858	174.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.