CID 3776068

1224946-21-7

Structural Information

Molecular Formula

C₁₄H₁₀N₄O₃

SMILES

C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H10N4O3/c19-14-13(11-3-1-2-4-12(11)15-14)17-16-9-5-7-10(8-6-9)18(20)21/h1-8,15,19H

InChIKey

HHJYHWPKXWRLIE-UHFFFAOYSA-N

Compound name

3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 282.0753 Da
Monoisotopic Mass: 3.6
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]+	283.082576	156.2
[M+Na]+	305.064518	164.0
[M-H]-	281.068024	163.7
[M+NH4]+	300.109123	171.9
[M+K]+	321.038458	155.7
[M+H-H2O]+	265.072560	152.2
[M+HCOO]-	327.073501	184.6
[M+CH3COO]-	341.089151	197.1
[M+Na-2H]-	303.049966	166.7
[M]+	282.07475142	155.8
[M]-	282.07584858	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe