CID 31625

2,7-acridinediamine

Structural Information

Molecular Formula

C₁₃H₁₁N₃

SMILES

C1=CC2=C(C=C1N)C=C3C=C(C=CC3=N2)N

InChI

InChI=1S/C13H11N3/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)16-12/h1-7H,14-15H2

InChIKey

OYZJQXIQTJRRCG-UHFFFAOYSA-N

Compound name

acridine-2,7-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 73
Patents: 209.09529 Da
Monoisotopic Mass: 1.9
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]+	210.102566	142.7
[M+Na]+	232.084508	153.6
[M-H]-	208.088014	146.9
[M+NH4]+	227.129113	161.8
[M+K]+	248.058448	147.9
[M+H-H2O]+	192.092550	135.4
[M+HCOO]-	254.093491	166.6
[M+CH3COO]-	268.109141	156.0
[M+Na-2H]-	230.069956	153.1
[M]+	209.09474142	141.5
[M]-	209.09583858	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe