CID 8683

2,4-diaminodiphenylamine

Structural Information

Molecular Formula

C₁₂H₁₃N₃

SMILES

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

InChI

InChI=1S/C12H13N3/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,15H,13-14H2

InChIKey

VOSLIUIVGWBSOK-UHFFFAOYSA-N

Compound name

1-N-phenylbenzene-1,2,4-triamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 880
Patents: 199.11095 Da
Monoisotopic Mass: 2.1
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]+	200.11823	144.2
[M+Na]+	222.10017	156.8
[M+NH4]+	217.14477	153.3
[M+K]+	238.07411	149.6
[M-H]-	198.10367	150.8
[M+Na-2H]-	220.08562	154.0
[M]+	199.11040	147.8
[M]-	199.11150	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe