CID 978616

N-[4-(benzyloxy)phenyl]-2-bromobenzamide

Structural Information

Molecular Formula

C₂₀H₁₆BrNO₂

SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C20H16BrNO2/c21-19-9-5-4-8-18(19)20(23)22-16-10-12-17(13-11-16)24-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23)

InChIKey

SRGQCCFQXAQNEP-UHFFFAOYSA-N

Compound name

2-bromo-N-(4-phenylmethoxyphenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 381.03644 Da
Monoisotopic Mass: 4.9
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]+	382.043716	182.4
[M+Na]+	404.025658	190.7
[M-H]-	380.029164	193.7
[M+NH4]+	399.070263	196.9
[M+K]+	419.999598	178.3
[M+H-H2O]+	364.033700	179.3
[M+HCOO]-	426.034641	203.7
[M+CH3COO]-	440.050291	214.7
[M+Na-2H]-	402.011106	187.8
[M]+	381.03589142	200.7
[M]-	381.03698858	200.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.