CID 89974

2-acetamidoacridine

Structural Information

Molecular Formula

C₁₅H₁₂N₂O

SMILES

CC(=O)NC1=CC2=NC3=CC=CC=C3C=C2C=C1

InChI

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

InChIKey

AOFMKIDPLZIMSQ-UHFFFAOYSA-N

Compound name

N-acridin-3-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 236.09496 Da
Monoisotopic Mass: 2.6
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]+	237.102236	150.2
[M+Na]+	259.084178	159.8
[M-H]-	235.087684	154.8
[M+NH4]+	254.128783	168.5
[M+K]+	275.058118	154.9
[M+H-H2O]+	219.092220	142.3
[M+HCOO]-	281.093161	172.9
[M+CH3COO]-	295.108811	163.1
[M+Na-2H]-	257.069626	160.5
[M]+	236.09441142	151.7
[M]-	236.09550858	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe