CID 25210478

N-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide

Structural Information

Molecular Formula

C₁₅H₁₃Br₂NO₂

SMILES

CC1=C(C(=CC=C1)C)C(=O)NC2=CC(=C(C(=C2)Br)O)Br

InChI

InChI=1S/C15H13Br2NO2/c1-8-4-3-5-9(2)13(8)15(20)18-10-6-11(16)14(19)12(17)7-10/h3-7,19H,1-2H3,(H,18,20)

InChIKey

IFECSMFQARKPSU-UHFFFAOYSA-N

Compound name

N-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 396.9313 Da
Monoisotopic Mass: 4.5
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]+	397.938576	165.5
[M+Na]+	419.920518	175.2
[M-H]-	395.924024	173.6
[M+NH4]+	414.965123	180.6
[M+K]+	435.894458	158.8
[M+H-H2O]+	379.928560	171.6
[M+HCOO]-	441.929501	180.2
[M+CH3COO]-	455.945151	219.1
[M+Na-2H]-	417.905966	168.6
[M]+	396.93075142	199.1
[M]-	396.93184858	199.1

Literature stripe

literature stripe

Patent stripe

patents stripe