CID 105271

66104-46-9

Structural Information

Molecular Formula

C₁₃H₁₅N₅

SMILES

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

InChI

InChI=1S/C13H15N5/c1-8-3-4-10(7-9(8)2)17-18-11-5-6-12(14)16-13(11)15/h3-7H,1-2H3,(H4,14,15,16)

InChIKey

XDTUFOYIXSUYLG-UHFFFAOYSA-N

Compound name

3-[(3,4-dimethylphenyl)diazenyl]pyridine-2,6-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 241.13275 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]+	242.140026	155.5
[M+Na]+	264.121968	164.2
[M-H]-	240.125474	163.7
[M+NH4]+	259.166573	171.9
[M+K]+	280.095908	160.7
[M+H-H2O]+	224.130010	146.3
[M+HCOO]-	286.130951	184.9
[M+CH3COO]-	300.146601	208.7
[M+Na-2H]-	262.107416	161.6
[M]+	241.13220142	154.5
[M]-	241.13329858	154.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.