CID 3025187

4-((2-(diethylamino)ethyl)amino)-6-nitroquinoline diphosphate

Structural Information

Molecular Formula
C15H20N4O2
SMILES
CCN(CC)CCNC1=C2C=C(C=CC2=NC=C1)[N+](=O)[O-]
InChI
InChI=1S/C15H20N4O2/c1-3-18(4-2)10-9-17-15-7-8-16-14-6-5-12(19(20)21)11-13(14)15/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKey
VSABBYVDWUCJNM-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(6-nitroquinolin-4-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

288.15863 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16591 165.0
[M+Na]+ 311.14785 169.7
[M-H]- 287.15135 168.9
[M+NH4]+ 306.19245 179.4
[M+K]+ 327.12179 163.1
[M+H-H2O]+ 271.15589 160.7
[M+HCOO]- 333.15683 189.6
[M+CH3COO]- 347.17248 206.3
[M+Na-2H]- 309.13330 173.3
[M]+ 288.15808 165.5
[M]- 288.15918 165.5
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

No patent data available for this compound.