CID 7099

Proflavine

Structural Information

Molecular Formula

C₁₃H₁₁N₃

SMILES

C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N

InChI

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

InChIKey

WDVSHHCDHLJJJR-UHFFFAOYSA-N

Compound name

acridine-3,6-diamine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 641
References: 22428
Patents: 209.09529 Da
Monoisotopic Mass: 1.8
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]+	210.10257	142.7
[M+Na]+	232.08451	153.6
[M-H]-	208.08801	146.9
[M+NH4]+	227.12911	161.8
[M+K]+	248.05845	147.9
[M+H-H2O]+	192.09255	135.4
[M+HCOO]-	254.09349	166.6
[M+CH3COO]-	268.10914	156.0
[M+Na-2H]-	230.06996	153.1
[M]+	209.09474	141.5
[M]-	209.09584	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe