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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.18703 189.5
[M+Na]+ 407.16897 195.8
[M-H]- 383.17247 195.0
[M+NH4]+ 402.21357 201.2
[M+K]+ 423.14291 188.9
[M+H-H2O]+ 367.17701 183.9
[M+HCOO]- 429.17795 213.3
[M+CH3COO]- 443.19360 226.5
[M+Na-2H]- 405.15442 197.7
[M]+ 384.17920 195.4
[M]- 384.18030 195.4
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.