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]+ 353.197176 182.1
[M+Na]+ 375.179118 187.2
[M-H]- 351.182624 186.8
[M+NH4]+ 370.223723 194.8
[M+K]+ 391.153058 178.8
[M+H-H2O]+ 335.187160 176.5
[M+HCOO]- 397.188101 205.7
[M+CH3COO]- 411.203751 219.8
[M+Na-2H]- 373.164566 191.2
[M]+ 352.18935142 184.6
[M]- 352.19044858 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.