CID 2801794

22700-62-5

Structural Information

Molecular Formula

C₁₆H₁₈BrN₃

SMILES

CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H18BrN3/c1-3-20(4-2)16-11-9-15(10-12-16)19-18-14-7-5-13(17)6-8-14/h5-12H,3-4H2,1-2H3

InChIKey

LDBYWLHTEGDQDL-UHFFFAOYSA-N

Compound name

4-[(4-bromophenyl)diazenyl]-N,N-diethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 331.06842 Da
Monoisotopic Mass: 5.2
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]+	332.07570	168.1
[M+Na]+	354.05764	172.1
[M+NH4]+	349.10224	173.5
[M+K]+	370.03158	169.6
[M-H]-	330.06114	173.5
[M+Na-2H]-	352.04309	175.0
[M]+	331.06787	169.1
[M]-	331.06897	169.1

Literature stripe

literature stripe

Patent stripe

patents stripe