CID 53294

75651-04-6

Structural Information

Molecular Formula

C₁₉H₁₃IN₂

SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)I

InChI

InChI=1S/C19H13IN2/c20-13-9-11-14(12-10-13)21-19-15-5-1-3-7-17(15)22-18-8-4-2-6-16(18)19/h1-12H,(H,21,22)

InChIKey

WSBBFKYDUKUANF-UHFFFAOYSA-N

Compound name

N-(4-iodophenyl)acridin-9-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 396.01236 Da
Monoisotopic Mass: 5.7
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]+	397.019636	168.2
[M+Na]+	419.001578	170.7
[M-H]-	395.005084	167.7
[M+NH4]+	414.046183	179.0
[M+K]+	434.975518	169.4
[M+H-H2O]+	379.009620	154.9
[M+HCOO]-	441.010561	185.7
[M+CH3COO]-	455.026211	175.7
[M+Na-2H]-	416.987026	167.3
[M]+	396.01181142	165.7
[M]-	396.01290858	165.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.