CID 12626482

68936-12-9

Structural Information

Molecular Formula

C₁₃H₁₄N₄

SMILES

CC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N)N

InChI

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

InChIKey

FRPHEOOUKVPYGO-UHFFFAOYSA-N

Compound name

4-[(4-methylphenyl)diazenyl]benzene-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
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	149.8
[M+Na]+	249.11106	157.6
[M-H]-	225.11456	159.0
[M+NH4]+	244.15566	167.9
[M+K]+	265.08500	154.3
[M+H-H2O]+	209.11910	141.3
[M+HCOO]-	271.12004	180.5
[M+CH3COO]-	285.13569	204.8
[M+Na-2H]-	247.09651	156.5
[M]+	226.12129	147.9
[M]-	226.12239	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe