CID 2801794

4-(4-bromophenylazo)-n,n-diethylaniline

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.07570 169.1
[M+Na]+ 354.05764 178.0
[M-H]- 330.06114 181.4
[M+NH4]+ 349.10224 187.5
[M+K]+ 370.03158 167.1
[M+H-H2O]+ 314.06568 165.1
[M+HCOO]- 376.06662 196.2
[M+CH3COO]- 390.08227 219.9
[M+Na-2H]- 352.04309 176.3
[M]+ 331.06787 189.8
[M]- 331.06897 189.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe