CID 34576

29418-59-5

Structural Information

Molecular Formula

C₁₃H₁₁N₃O₃

SMILES

COC1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O3/c1-19-13-8-4-11(5-9-13)15-14-10-2-6-12(7-3-10)16(17)18/h2-9H,1H3

InChIKey

CHGPHWNJICZVNY-UHFFFAOYSA-N

Compound name

(4-methoxyphenyl)-(4-nitrophenyl)diazene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 23
Patents: 257.08005 Da
Monoisotopic Mass: 3.8
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]+	258.08733	155.0
[M+Na]+	280.06927	169.4
[M+NH4]+	275.11387	163.4
[M+K]+	296.04321	164.4
[M-H]-	256.07277	162.4
[M+Na-2H]-	278.05472	165.2
[M]+	257.07950	159.0
[M]-	257.08060	159.0

Literature stripe

literature stripe

Patent stripe

patents stripe