CID 28247

17074-44-1

Structural Information

Molecular Formula
C20H24N4O2
SMILES
CCN(CC)CCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C20H24N4O2/c1-3-23(4-2)14-8-13-21-20-15-9-5-6-10-16(15)22-17-11-7-12-18(19(17)20)24(25)26/h5-7,9-12H,3-4,8,13-14H2,1-2H3,(H,21,22)
InChIKey
MLPKZUBKJDQRIK-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(1-nitroacridin-9-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 182.1
[M+Na]+ 375.17912 187.2
[M-H]- 351.18262 186.8
[M+NH4]+ 370.22372 194.8
[M+K]+ 391.15306 178.8
[M+H-H2O]+ 335.18716 176.5
[M+HCOO]- 397.18810 205.7
[M+CH3COO]- 411.20375 219.8
[M+Na-2H]- 373.16457 191.2
[M]+ 352.18935 184.6
[M]- 352.19045 184.6
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.