CID 53934

77966-70-2

Structural Information

Molecular Formula

C₁₃H₁₈Br₂N₂O

SMILES

CCN(CC)CC(=O)NC1=C(C=C(C=C1Br)C)Br

InChI

InChI=1S/C13H18Br2N2O/c1-4-17(5-2)8-12(18)16-13-10(14)6-9(3)7-11(13)15/h6-7H,4-5,8H2,1-3H3,(H,16,18)

InChIKey

SCQOKPUURSPEQZ-UHFFFAOYSA-N

Compound name

N-(2,6-dibromo-4-methylphenyl)-2-(diethylamino)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 375.97858 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]+	376.985856	163.8
[M+Na]+	398.967798	172.4
[M-H]-	374.971304	170.9
[M+NH4]+	394.012403	180.4
[M+K]+	414.941738	156.3
[M+H-H2O]+	358.975840	168.7
[M+HCOO]-	420.976781	180.1
[M+CH3COO]-	434.992431	222.6
[M+Na-2H]-	396.953246	166.9
[M]+	375.97803142	198.6
[M]-	375.97912858	198.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.