CID 125178

Nitro dimethylamino methylethylamino acridine

Structural Information

Molecular Formula
C18H20N4O2
SMILES
CC(CN(C)C)NC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C18H20N4O2/c1-12(11-21(2)3)19-18-13-7-4-5-8-14(13)20-15-9-6-10-16(17(15)18)22(23)24/h4-10,12H,11H2,1-3H3,(H,19,20)
InChIKey
OMMVCTMDWJLPLM-UHFFFAOYSA-N
Compound name
1-N,1-N-dimethyl-2-N-(1-nitroacridin-9-yl)propane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

324.15863 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16591 172.9
[M+Na]+ 347.14785 187.4
[M+NH4]+ 342.19245 181.2
[M+K]+ 363.12179 182.4
[M-H]- 323.15135 178.9
[M+Na-2H]- 345.13330 180.1
[M]+ 324.15808 176.6
[M]- 324.15918 176.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.