CID 78177

5042-54-6

Structural Information

Molecular Formula

C₁₃H₁₄N₄

SMILES

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

InChI

InChI=1S/C13H14N4/c1-9-7-13(12(15)8-11(9)14)17-16-10-5-3-2-4-6-10/h2-8H,14-15H2,1H3

InChIKey

JSWCBDPQYMLZPU-UHFFFAOYSA-N

Compound name

4-methyl-6-phenyldiazenylbenzene-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 50
References: 1762
Patents: 226.12184 Da
Monoisotopic Mass: 2.7
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]+	227.12912	151.9
[M+Na]+	249.11106	164.5
[M+NH4]+	244.15566	160.7
[M+K]+	265.08500	156.9
[M-H]-	225.11456	159.5
[M+Na-2H]-	247.09651	161.9
[M]+	226.12129	155.7
[M]-	226.12239	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe