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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.19718 183.5
[M+Na]+ 375.17912 198.6
[M+NH4]+ 370.22372 191.6
[M+K]+ 391.15306 192.6
[M-H]- 351.18262 189.7
[M+Na-2H]- 373.16457 189.9
[M]+ 352.18935 187.4
[M]- 352.19045 187.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.