CID 16282

2045-17-2

Structural Information

Molecular Formula

C₁₂H₁₆Br₂N₂O

SMILES

CC(=O)NC1=CC=C(C=C1)N(CCBr)CCBr

InChI

InChI=1S/C12H16Br2N2O/c1-10(17)15-11-2-4-12(5-3-11)16(8-6-13)9-7-14/h2-5H,6-9H2,1H3,(H,15,17)

InChIKey

HDIDAFMIJYIOOS-UHFFFAOYSA-N

Compound name

N-[4-[bis(2-bromoethyl)amino]phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 361.96295 Da
Monoisotopic Mass: 2.5
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]+	362.97023	160.8
[M+Na]+	384.95217	168.4
[M-H]-	360.95567	167.5
[M+NH4]+	379.99677	177.4
[M+K]+	400.92611	152.5
[M+H-H2O]+	344.96021	165.8
[M+HCOO]-	406.96115	177.4
[M+CH3COO]-	420.97680	218.5
[M+Na-2H]-	382.93762	165.4
[M]+	361.96240	194.9
[M]-	361.96350	194.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.