CID 3319822

1778-71-8

Structural Information

Molecular Formula

C₁₄H₁₄N₂O

SMILES

CC1=CC(=CC(=C1N=NC2=CC=CC=C2)C)O

InChI

InChI=1S/C14H14N2O/c1-10-8-13(17)9-11(2)14(10)16-15-12-6-4-3-5-7-12/h3-9,17H,1-2H3

InChIKey

XZJZXPFFLHBNGJ-UHFFFAOYSA-N

Compound name

3,5-dimethyl-4-phenyldiazenylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 226.11061 Da
Monoisotopic Mass: 4.1
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]+	227.11789	149.5
[M+Na]+	249.09983	158.0
[M-H]-	225.10333	158.3
[M+NH4]+	244.14443	168.1
[M+K]+	265.07377	154.9
[M+H-H2O]+	209.10787	141.7
[M+HCOO]-	271.10881	177.9
[M+CH3COO]-	285.12446	198.4
[M+Na-2H]-	247.08528	156.6
[M]+	226.11006	150.8
[M]-	226.11116	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe