CID 62344

Acridine orange

Structural Information

Molecular Formula

C₁₇H₁₉N₃

SMILES

CN(C)C1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)N(C)C

InChI

InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3

InChIKey

DPKHZNPWBDQZCN-UHFFFAOYSA-N

Compound name

3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2339
References: 42939
Patents: 265.1579 Da
Monoisotopic Mass: 3.4
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]+	266.16518	161.1
[M+Na]+	288.14712	177.1
[M+NH4]+	283.19172	171.4
[M+K]+	304.12106	168.4
[M-H]-	264.15062	167.3
[M+Na-2H]-	286.13257	170.4
[M]+	265.15735	165.4
[M]-	265.15845	165.4

Literature stripe

literature stripe

Patent stripe

patents stripe