CID 80723

6364-39-2

Structural Information

Molecular Formula

C₁₇H₁₆N₄

SMILES

CC1=CC(=C(C=C1N)N)N=NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C17H16N4/c1-11-9-17(15(19)10-14(11)18)21-20-16-8-4-6-12-5-2-3-7-13(12)16/h2-10H,18-19H2,1H3

InChIKey

ISAXZYNEXMETQQ-UHFFFAOYSA-N

Compound name

4-methyl-6-(naphthalen-1-yldiazenyl)benzene-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 276.13748 Da
Monoisotopic Mass: 4.0
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]+	277.144756	162.5
[M+Na]+	299.126698	170.9
[M-H]-	275.130204	172.5
[M+NH4]+	294.171303	179.7
[M+K]+	315.100638	166.2
[M+H-H2O]+	259.134740	153.5
[M+HCOO]-	321.135681	191.6
[M+CH3COO]-	335.151331	175.2
[M+Na-2H]-	297.112146	169.9
[M]+	276.13693142	161.3
[M]-	276.13802858	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe