CID 24212776

853330-61-7

Structural Information

Molecular Formula

C₂₁H₂₀BrNO₂

SMILES

CC1=CC(=C(C=C1)NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H20BrNO2/c1-14-3-10-19(15(2)13-14)23-21(24)12-9-18-8-11-20(25-18)16-4-6-17(22)7-5-16/h3-8,10-11,13H,9,12H2,1-2H3,(H,23,24)

InChIKey

BJHAOEKFVJUUHV-UHFFFAOYSA-N

Compound name

3-[5-(4-bromophenyl)furan-2-yl]-N-(2,4-dimethylphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 397.06775 Da
Monoisotopic Mass: 5.2
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]+	398.075026	192.1
[M+Na]+	420.056968	202.1
[M-H]-	396.060474	204.9
[M+NH4]+	415.101573	207.4
[M+K]+	436.030908	190.5
[M+H-H2O]+	380.065010	189.9
[M+HCOO]-	442.065951	213.2
[M+CH3COO]-	456.081601	219.6
[M+Na-2H]-	418.042416	193.7
[M]+	397.06720142	213.0
[M]-	397.06829858	213.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.