CID 97320

P,p'-azocumene

Structural Information

Molecular Formula

C₁₈H₂₂N₂

SMILES

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

InChI

InChI=1S/C18H22N2/c1-13(2)15-5-9-17(10-6-15)19-20-18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3

InChIKey

BCCJRCKGVMFWDL-UHFFFAOYSA-N

Compound name

bis(4-propan-2-ylphenyl)diazene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 266.17828 Da
Monoisotopic Mass: 6.0
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]+	267.18556	165.2
[M+Na]+	289.16750	170.9
[M-H]-	265.17100	174.4
[M+NH4]+	284.21210	182.5
[M+K]+	305.14144	168.2
[M+H-H2O]+	249.17554	156.5
[M+HCOO]-	311.17648	191.5
[M+CH3COO]-	325.19213	211.5
[M+Na-2H]-	287.15295	168.8
[M]+	266.17773	166.8
[M]-	266.17883	166.8

Literature stripe

literature stripe

Patent stripe

patents stripe