CID 135583308

16279-53-1

Structural Information

Molecular Formula

C₁₆H₁₂N₄O₃

SMILES

C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)[N+](=O)[O-])O)N

InChI

InChI=1S/C16H12N4O3/c17-13-7-5-10-3-1-2-4-12(10)16(13)19-18-14-8-6-11(20(22)23)9-15(14)21/h1-9,21H,17H2

InChIKey

VQAXLVSIIUKAAQ-UHFFFAOYSA-N

Compound name

2-[(2-aminonaphthalen-1-yl)diazenyl]-5-nitrophenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3
Patents: 308.09094 Da
Monoisotopic Mass: 3.7
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]+	309.098216	164.2
[M+Na]+	331.080158	170.7
[M-H]-	307.083664	173.0
[M+NH4]+	326.124763	178.3
[M+K]+	347.054098	162.9
[M+H-H2O]+	291.088200	159.4
[M+HCOO]-	353.089141	192.5
[M+CH3COO]-	367.104791	209.1
[M+Na-2H]-	329.065606	173.8
[M]+	308.09039142	162.4
[M]-	308.09148858	162.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe