CID 374706

4,5-dimethyl-9-((3-(dimethylamino)propyl)amino)-1-nitroacridine

Structural Information

Molecular Formula

C₂₀H₂₄N₄O₂

SMILES

CC1=C2C(=CC=C1)C(=C3C(=CC=C(C3=N2)C)[N+](=O)[O-])NCCCN(C)C

InChI

InChI=1S/C20H24N4O2/c1-13-7-5-8-15-18(13)22-19-14(2)9-10-16(24(25)26)17(19)20(15)21-11-6-12-23(3)4/h5,7-10H,6,11-12H2,1-4H3,(H,21,22)

InChIKey

QBJNJPAZWDZISN-UHFFFAOYSA-N

Compound name

N-(4,5-dimethyl-1-nitroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 352.1899 Da
Monoisotopic Mass: 4.5
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]+	353.197176	183.7
[M+Na]+	375.179118	190.6
[M-H]-	351.182624	189.2
[M+NH4]+	370.223723	197.0
[M+K]+	391.153058	182.4
[M+H-H2O]+	335.187160	178.6
[M+HCOO]-	397.188101	207.3
[M+CH3COO]-	411.203751	222.2
[M+Na-2H]-	373.164566	191.4
[M]+	352.18935142	187.0
[M]-	352.19044858	187.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.