CID 17667

2747-31-1

Structural Information

Molecular Formula

C₁₄H₁₅N₃O

SMILES

C[N+](C)(C1=CC=C(C=C1)N=NC2=CC=CC=C2)[O-]

InChI

InChI=1S/C14H15N3O/c1-17(2,18)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3

InChIKey

XHTVNOLAJVJNLK-UHFFFAOYSA-N

Compound name

N,N-dimethyl-4-phenyldiazenylbenzeneamine oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 241.1215 Da
Monoisotopic Mass: 3.4
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]+	242.12878	153.4
[M+Na]+	264.11072	168.4
[M+NH4]+	259.15532	163.2
[M+K]+	280.08466	162.2
[M-H]-	240.11422	161.7
[M+Na-2H]-	262.09617	165.1
[M]+	241.12095	158.1
[M]-	241.12205	158.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.