CID 80874

6417-44-3

Structural Information

Molecular Formula

C₁₆H₁₉N₃

SMILES

CC1=CC(=C(C=C1)N=NC2=CC(=CC(=C2N)C)C)C

InChI

InChI=1S/C16H19N3/c1-10-5-6-14(12(3)7-10)18-19-15-9-11(2)8-13(4)16(15)17/h5-9H,17H2,1-4H3

InChIKey

LERDYFSISFKRET-UHFFFAOYSA-N

Compound name

2-[(2,4-dimethylphenyl)diazenyl]-4,6-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 253.1579 Da
Monoisotopic Mass: 4.5
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]+	254.165176	160.2
[M+Na]+	276.147118	169.4
[M-H]-	252.150624	170.3
[M+NH4]+	271.191723	178.6
[M+K]+	292.121058	165.9
[M+H-H2O]+	236.155160	152.0
[M+HCOO]-	298.156101	189.5
[M+CH3COO]-	312.171751	211.7
[M+Na-2H]-	274.132566	164.5
[M]+	253.15735142	161.9
[M]-	253.15844858	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe