CID 20628

Nitracrine

Structural Information

Molecular Formula
C18H20N4O2
SMILES
CN(C)CCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C18H20N4O2/c1-21(2)12-6-11-19-18-13-7-3-4-8-14(13)20-15-9-5-10-16(17(15)18)22(23)24/h3-5,7-10H,6,11-12H2,1-2H3,(H,19,20)
InChIKey
YMVWGSQGCWCDGW-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-(1-nitroacridin-9-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

136
References

16446
Patents

324.15863 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16591 173.3
[M+Na]+ 347.14785 188.2
[M+NH4]+ 342.19245 181.7
[M+K]+ 363.12179 182.3
[M-H]- 323.15135 179.5
[M+Na-2H]- 345.13330 180.8
[M]+ 324.15808 177.1
[M]- 324.15918 177.1
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

patents stripe