CID 374951

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

Structural Information

Molecular Formula

C₂₀H₂₄N₄O₄

SMILES

CN(C)CCCNC1=C2C=CC=C(C2=NC3=C(C=CC(=C31)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H24N4O4/c1-23(2)12-6-11-21-19-13-7-5-8-15(27-3)18(13)22-20-16(28-4)10-9-14(17(19)20)24(25)26/h5,7-10H,6,11-12H2,1-4H3,(H,21,22)

InChIKey

NYFZMZPEGBUXSL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 384.17975 Da
Monoisotopic Mass: 3.7
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]+	385.187026	189.5
[M+Na]+	407.168968	195.8
[M-H]-	383.172474	195.0
[M+NH4]+	402.213573	201.2
[M+K]+	423.142908	188.9
[M+H-H2O]+	367.177010	183.9
[M+HCOO]-	429.177951	213.3
[M+CH3COO]-	443.193601	226.5
[M+Na-2H]-	405.154416	197.7
[M]+	384.17920142	195.4
[M]-	384.18029858	195.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.