CID 24212675

N-(2-bromophenyl)-3-(3-chloro-4-methoxyphenyl)propanamide

Structural Information

Molecular Formula

C₁₆H₁₅BrClNO₂

SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=CC=CC=C2Br)Cl

InChI

InChI=1S/C16H15BrClNO2/c1-21-15-8-6-11(10-13(15)18)7-9-16(20)19-14-5-3-2-4-12(14)17/h2-6,8,10H,7,9H2,1H3,(H,19,20)

InChIKey

VLWLOVIZMQDVRB-UHFFFAOYSA-N

Compound name

N-(2-bromophenyl)-3-(3-chloro-4-methoxyphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 366.99747 Da
Monoisotopic Mass: 4.3
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]+	368.004746	174.2
[M+Na]+	389.986688	185.3
[M-H]-	365.990194	183.2
[M+NH4]+	385.031293	191.2
[M+K]+	405.960628	171.6
[M+H-H2O]+	349.994730	173.0
[M+HCOO]-	411.995671	191.4
[M+CH3COO]-	426.011321	211.8
[M+Na-2H]-	387.972136	178.6
[M]+	366.99692142	196.4
[M]-	366.99801858	196.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.