CID 89975

3-acetamidoacridine

Structural Information

Molecular Formula

C₁₅H₁₂N₂O

SMILES

CC(=O)NC1=CC2=CC3=CC=CC=C3N=C2C=C1

InChI

InChI=1S/C15H12N2O/c1-10(18)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)17-15/h2-9H,1H3,(H,16,18)

InChIKey

QMRJLXOCWJOZLU-UHFFFAOYSA-N

Compound name

N-acridin-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 236.09496 Da
Monoisotopic Mass: 2.5
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]+	237.10224	150.2
[M+Na]+	259.08418	159.8
[M-H]-	235.08768	154.8
[M+NH4]+	254.12878	168.5
[M+K]+	275.05812	154.9
[M+H-H2O]+	219.09222	142.3
[M+HCOO]-	281.09316	172.9
[M+CH3COO]-	295.10881	163.1
[M+Na-2H]-	257.06963	160.5
[M]+	236.09441	151.7
[M]-	236.09551	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe