CID 6053

Dimethyl yellow

Structural Information

Molecular Formula

C₁₄H₁₅N₃

SMILES

CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2

InChI

InChI=1S/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3

InChIKey

JCYPECIVGRXBMO-UHFFFAOYSA-N

Compound name

N,N-dimethyl-4-phenyldiazenylaniline

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1808
References: 7471
Patents: 225.1266 Da
Monoisotopic Mass: 4.6
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]+	226.13388	150.1
[M+Na]+	248.11582	156.5
[M-H]-	224.11932	160.9
[M+NH4]+	243.16042	169.1
[M+K]+	264.08976	155.0
[M+H-H2O]+	208.12386	141.1
[M+HCOO]-	270.12480	181.2
[M+CH3COO]-	284.14045	205.0
[M+Na-2H]-	246.10127	158.8
[M]+	225.12605	151.7
[M]-	225.12715	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe