CID 68091161

1160556-63-7

Structural Information

Molecular Formula

C₁₆H₁₉BrN₂

SMILES

CN(C)C1=C(C(=CC=C1)N(C)C)C2=CC=CC=C2Br

InChI

InChI=1S/C16H19BrN2/c1-18(2)14-10-7-11-15(19(3)4)16(14)12-8-5-6-9-13(12)17/h5-11H,1-4H3

InChIKey

XLVOBPSJQPPHPA-UHFFFAOYSA-N

Compound name

2-(2-bromophenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 318.07315 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]+	319.080426	167.6
[M+Na]+	341.062368	177.3
[M-H]-	317.065874	179.2
[M+NH4]+	336.106973	186.5
[M+K]+	357.036308	166.8
[M+H-H2O]+	301.070410	164.9
[M+HCOO]-	363.071351	191.3
[M+CH3COO]-	377.087001	216.2
[M+Na-2H]-	339.047816	172.2
[M]+	318.07260142	187.9
[M]-	318.07369858	187.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe