CID 3108457

4-tert-butyl-n-(4-(phenyldiazenyl)phenyl)benzamide

Structural Information

Molecular Formula

C₂₃H₂₃N₃O

SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3

InChI

InChI=1S/C23H23N3O/c1-23(2,3)18-11-9-17(10-12-18)22(27)24-19-13-15-21(16-14-19)26-25-20-7-5-4-6-8-20/h4-16H,1-3H3,(H,24,27)

InChIKey

AKXXNSONRCGXAU-UHFFFAOYSA-N

Compound name

4-tert-butyl-N-(4-phenyldiazenylphenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 357.1841 Da
Monoisotopic Mass: 6.1
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]+	358.191376	187.9
[M+Na]+	380.173318	192.8
[M-H]-	356.176824	199.8
[M+NH4]+	375.217923	200.5
[M+K]+	396.147258	188.4
[M+H-H2O]+	340.181360	177.3
[M+HCOO]-	402.182301	214.4
[M+CH3COO]-	416.197951	226.7
[M+Na-2H]-	378.158766	194.0
[M]+	357.18355142	188.4
[M]-	357.18464858	188.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.