CID 10354831

Chembl226258

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂

SMILES

CC(=O)NC1=CC2=C(C=C1)NC(=O)C3=CC=CC=C32

InChI

InChI=1S/C15H12N2O2/c1-9(18)16-10-6-7-14-13(8-10)11-4-2-3-5-12(11)15(19)17-14/h2-8H,1H3,(H,16,18)(H,17,19)

InChIKey

LZAROMAQSXNNGA-UHFFFAOYSA-N

Compound name

N-(6-oxo-5H-phenanthridin-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 5
Patents: 252.08987 Da
Monoisotopic Mass: 1.6
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]+	253.09715	153.1
[M+Na]+	275.07909	163.4
[M-H]-	251.08259	156.8
[M+NH4]+	270.12369	170.3
[M+K]+	291.05303	157.8
[M+H-H2O]+	235.08713	145.6
[M+HCOO]-	297.08807	174.7
[M+CH3COO]-	311.10372	165.6
[M+Na-2H]-	273.06454	162.3
[M]+	252.08932	154.0
[M]-	252.09042	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe