CID 53347

9-(o-aminoanilino)acridine

Structural Information

Molecular Formula

C₁₉H₁₅N₃

SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=CC=C4N

InChI

InChI=1S/C19H15N3/c20-15-9-3-6-12-18(15)22-19-13-7-1-4-10-16(13)21-17-11-5-2-8-14(17)19/h1-12H,20H2,(H,21,22)

InChIKey

BAUGCEXLSBLNFU-UHFFFAOYSA-N

Compound name

2-N-acridin-9-ylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 285.1266 Da
Monoisotopic Mass: 4.4
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]+	286.133876	163.4
[M+Na]+	308.115818	172.8
[M-H]-	284.119324	170.5
[M+NH4]+	303.160423	178.9
[M+K]+	324.089758	165.4
[M+H-H2O]+	268.123860	153.9
[M+HCOO]-	330.124801	187.0
[M+CH3COO]-	344.140451	175.2
[M+Na-2H]-	306.101266	174.1
[M]+	285.12605142	162.5
[M]-	285.12714858	162.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.