CID 53333

75775-80-3

Structural Information

Molecular Formula

C₂₁H₁₈N₂

SMILES

CCC1=CC=CC=C1NC2=C3C=CC=CC3=NC4=CC=CC=C42

InChI

InChI=1S/C21H18N2/c1-2-15-9-3-6-12-18(15)23-21-16-10-4-7-13-19(16)22-20-14-8-5-11-17(20)21/h3-14H,2H2,1H3,(H,22,23)

InChIKey

DWLAHKOXIWDSBT-UHFFFAOYSA-N

Compound name

N-(2-ethylphenyl)acridin-9-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 298.147 Da
Monoisotopic Mass: 5.9
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]+	299.154276	169.9
[M+Na]+	321.136218	179.1
[M-H]-	297.139724	177.1
[M+NH4]+	316.180823	185.4
[M+K]+	337.110158	171.6
[M+H-H2O]+	281.144260	160.0
[M+HCOO]-	343.145201	192.3
[M+CH3COO]-	357.160851	181.4
[M+Na-2H]-	319.121666	179.7
[M]+	298.14645142	171.0
[M]-	298.14754858	171.0

Literature stripe

literature stripe

Patent stripe

patents stripe