CID 162689

Bqukegngepwghk-uhfffaoysa-n

Structural Information

Molecular Formula

C₂₂H₁₆N₄O₂

SMILES

C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)O)N=NC3=C(C=CC4=CC=CC=C43)O

InChI

InChI=1S/C22H16N4O2/c27-20-13-11-17(24-23-16-7-2-1-3-8-16)14-19(20)25-26-22-18-9-5-4-6-15(18)10-12-21(22)28/h1-14,27-28H

InChIKey

BQUKEGNGEPWGHK-UHFFFAOYSA-N

Compound name

1-[(2-hydroxy-5-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 368.12732 Da
Monoisotopic Mass: 6.0
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]+	369.134596	183.6
[M+Na]+	391.116538	190.7
[M-H]-	367.120044	196.9
[M+NH4]+	386.161143	196.3
[M+K]+	407.090478	185.9
[M+H-H2O]+	351.124580	172.0
[M+HCOO]-	413.125521	213.6
[M+CH3COO]-	427.141171	194.9
[M+Na-2H]-	389.101986	193.1
[M]+	368.12677142	185.1
[M]-	368.12786858	185.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe