CID 17172

Acridine red

Structural Information

Molecular Formula

C₁₅H₁₄N₂O

SMILES

CNC1=CC2=C(C=C1)C=C3C=CC(=NC)C=C3O2

InChI

InChI=1S/C15H14N2O/c1-16-12-5-3-10-7-11-4-6-13(17-2)9-15(11)18-14(10)8-12/h3-9,16H,1-2H3

InChIKey

AZJKFDJTOJCKAN-UHFFFAOYSA-N

Compound name

N-methyl-6-methyliminoxanthen-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 14
References: 1503
Patents: 238.11061 Da
Monoisotopic Mass: 2.3
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]+	239.117886	150.5
[M+Na]+	261.099828	160.2
[M-H]-	237.103334	158.5
[M+NH4]+	256.144433	169.6
[M+K]+	277.073768	157.1
[M+H-H2O]+	221.107870	142.9
[M+HCOO]-	283.108811	175.7
[M+CH3COO]-	297.124461	164.3
[M+Na-2H]-	259.085276	161.7
[M]+	238.11006142	152.9
[M]-	238.11115858	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe