CID 66711

92-57-9

Structural Information

Molecular Formula

C₁₅H₁₆N₃

SMILES

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)[N+]#N

InChI

InChI=1S/C15H16N3/c1-2-18(12-13-6-4-3-5-7-13)15-10-8-14(17-16)9-11-15/h3-11H,2,12H2,1H3/q+1

InChIKey

JAIYXNJMFFXTAP-UHFFFAOYSA-N

Compound name

4-[benzyl(ethyl)amino]benzenediazonium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 44
Patents: 238.13443 Da
Monoisotopic Mass: 4.6
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]+	239.14171	162.0
[M+Na]+	261.12365	170.0
[M-H]-	237.12715	169.3
[M+NH4]+	256.16825	177.5
[M+K]+	277.09759	161.0
[M+H-H2O]+	221.13169	149.3
[M+HCOO]-	283.13263	185.0
[M+CH3COO]-	297.14828	207.3
[M+Na-2H]-	259.10910	169.4
[M]+	238.13388	156.7
[M]-	238.13498	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe