CID 6823

85-82-5

Structural Information

Molecular Formula

C₁₈H₁₆N₂O

SMILES

CC1=CC(=C(C=C1)C)N=NC2=C(C=CC3=CC=CC=C32)O

InChI

InChI=1S/C18H16N2O/c1-12-7-8-13(2)16(11-12)19-20-18-15-6-4-3-5-14(15)9-10-17(18)21/h3-11,21H,1-2H3

InChIKey

VUSAIZBVVMZCCH-UHFFFAOYSA-N

Compound name

1-[(2,5-dimethylphenyl)diazenyl]naphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 276.12625 Da
Monoisotopic Mass: 5.3
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]+	277.133526	163.0
[M+Na]+	299.115468	172.0
[M-H]-	275.118974	172.6
[M+NH4]+	294.160073	180.6
[M+K]+	315.089408	167.4
[M+H-H2O]+	259.123510	154.4
[M+HCOO]-	321.124451	189.7
[M+CH3COO]-	335.140101	176.1
[M+Na-2H]-	297.100916	170.5
[M]+	276.12570142	164.8
[M]-	276.12679858	164.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe