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 172.4
[M+Na]+ 347.14785 178.1
[M-H]- 323.15135 177.7
[M+NH4]+ 342.19245 186.2
[M+K]+ 363.12179 170.8
[M+H-H2O]+ 307.15589 167.6
[M+HCOO]- 369.15683 195.8
[M+CH3COO]- 383.17248 214.6
[M+Na-2H]- 345.13330 181.6
[M]+ 324.15808 173.8
[M]- 324.15918 173.8
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.